Sugi Predict

Sugi Predict / Compounds / SCHEMBL694189

SCHEMBL694189

SCHEMBL694189

OC1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.62
▸ CHRM4 P08173 1/20 0.62
▸ CHRM5 P08912 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.55
▸ KCNH2 Q12809 4/20 0.54
▸ OPRK1 P41145 3/20 0.54
▸ OPRM1 P35372 2/20 0.54
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNA7 P36544 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ DRD3 P35462 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16766562 1.00 CHRM2 (0.62) CHRM2CHRM4CHRM5ALDH1A1KCNH2
SCHEMBL16766586 1.00 CHRM2 (0.62) CHRM2CHRM4CHRM5ALDH1A1KCNH2
SCHEMBL13993541 1.00 CHRM2 (0.62) CHRM2CHRM4CHRM5ALDH1A1KCNH2
N-Benzyltropan-4-Ol SCHEMBL693501 0.93 CHRM2 (0.59) CHRM2CHRM4CHRM5ALDH1A1KCNH2
N-Benzyltropan-4-Ol SCHEMBL911838 0.93 CHRM2 (0.59) CHRM2CHRM4CHRM5ALDH1A1KCNH2
N-Benzyltropan-4-Ol SCHEMBL910594 0.93 CHRM2 (0.59) CHRM2CHRM4CHRM5ALDH1A1KCNH2
SCHEMBL10120550 0.84 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1KCNH2
SCHEMBL22777402 0.84 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1KCNH2
SCHEMBL15421001 0.84 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1KCNH2
SCHEMBL10106309 0.84 CHRM2 (0.57) CHRM2CHRM4CHRM5ALDH1A1KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 — — US disclosed
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 — — US disclosed
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-08-18 — — US disclosed
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2020-05-28 — — US disclosed
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-03-17 — — US disclosed
US-20190308966-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-10 — — US disclosed
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-10-03 — — US disclosed
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 — — US disclosed
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2019-07-23 — — US disclosed
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2019-02-14 — — US disclosed
EP-1781650-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-05-09 — — EP disclosed
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 — — US disclosed
WO-2006021448-A1 NOVEL COMPOUNDS HAVING AN ANTI-BACTERIAL ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-03-02 — — WO disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 — — US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 — — EP disclosed
US-5552408-A Benzimidazoline-2-oxo-1-carboxylic acid derivatives useful as 5-ht receptor antagonists BOEHRINGER INGELHEIM ITALIA S.P.A. (IT) 1996-09-03 — — US disclosed
US-5358954-A Antiserotonine agent, antiemetic, gastrointestinal disorders BOEHRINGER INGELHEIM ITALIA (IT) 1994-10-25 — — US disclosed
EP-0042365-B1 SALTS OF ENDO-8-METHYL-8-SYN-ALKYL-8-AZONIABICYCLO-(3.2.1)-OCTANE-3-ALKYLCARBOXYLATES, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC COMPOSITIONS CONTAINING THEM VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1984-09-12 — — EP disclosed
US-4411902-A ANTISPASMODICS VALEAS S.P.A. (IT) 1983-10-25 — — US disclosed
EP-0042365-A1 Salts of endo-8-methyl-8-syn-alkyl-8-azoniabicyclo-(3.2.1)-octane-3-alkylcarboxylates, process for their preparation and therapeutic compositions containing them VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1981-12-23 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190300504-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CHRM2 11/4885CHRM4 31/4885CHRM5 23/4885
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A CHRM2 11/4885CHRM4 26/4885CHRM5 20/4885
US-20190308966-A1 8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM4 167/4885CHRM5 56/4885
US-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 CHRM2 1049/4885CHRM4 691/4885CHRM5 1118/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CHRM2 9/4885CHRM4 25/4885CHRM5 19/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B CHRM2 11/4885CHRM4 31/4885CHRM5 23/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA CHRM2 2186/4885CHRM4 3111/4885CHRM5 3065/4885
US-10745394-B2 8-azabicyclo[3.2.1]octane compounds as mu opioid receptor antagonists OPRM1, OPRD1, OPRK1 CHRM2 67/4885CHRM4 167/4885CHRM5 56/4885
US-20190047984-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CHRM2 11/4885CHRM4 29/4885CHRM5 22/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B CHRM2 11/4885CHRM4 31/4885CHRM5 23/4885
US-10358433-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A CHRM2 11/4885CHRM4 28/4885CHRM5 17/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.