Sugi Predict

Sugi Predict / Compounds / SCHEMBL168286

SCHEMBL168286

SCHEMBL168286

N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.58
▸ CHRM4 P08173 1/20 0.58
▸ CHRM5 P08912 1/20 0.58
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNA7 P36544 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ KCNH2 Q12809 8/20 0.51
▸ OPRK1 P41145 6/20 0.51
▸ OPRM1 P35372 5/20 0.51
▸ OPRD1 P41143 3/20 0.51
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ SLC6A2 P23975 1/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL168287 1.00 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL21777244 1.00 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL15021133 1.00 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL21772974 1.00 CHRM2 (0.58) CHRM2CHRM4CHRM5CHRNB2CHRNA7
Hydrochloric Acid SCHEMBL4995917 0.98 CHRM2 (0.61) CHRM2CHRM4CHRM5CHRNB2CHRNA7
Hydrochloric Acid SCHEMBL4020237 0.96 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL20967986 0.93 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL9023345 0.93 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL8120312 0.93 CHRM2 (0.54) CHRM2CHRM4CHRM5CHRNB2CHRNA7
SCHEMBL21266577 0.91 CHRM2 (0.65) CHRM2CHRM4CHRM5CHRNB2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400575-A1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS UNIV BARCELONA (ES) 2024-12-05 — — US disclosed
EP-3810572-B1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS UNIV BARCELONA (ES) 2023-11-15 — — EP disclosed
CN-112888674-A Polycyclic compounds as soluble epoxide hydrolase inhibitors 巴塞罗那大学 2021-06-01 — — CN disclosed
EP-3810572-A1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Universitat de Barcelona (ES) 2021-04-28 — — EP disclosed
CN-112638898-A Heteroaryl substituted sulfonamide compounds and their use as sodium channel inhibitors 泽农医药公司 2021-04-09 — — CN disclosed
US-10752623-B2 Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors XENON PHARMACEUTICALS INC. (CA) 2020-08-25 — — US disclosed
US-20200071313-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS XENON PHARMACEUTICALS INC. (CA) 2020-03-05 — — US disclosed
WO-2019243414-A1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS UNIVERSITAT DE BARCELONA (ES) 2019-12-26 — — WO disclosed
US-8859559-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 — — US disclosed
US-8779143-B2 Crystalline forms of maraviroc phosphate and process for maraviroc amorphous form HETERO RESEARCH FOUNDATION (IN) 2014-07-15 — — US disclosed
EP-1526134-B1 TRIAZOLYL TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LTD (GB) 2008-09-03 — — EP disclosed
US-7368460-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2008-05-06 — — US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 — — US disclosed
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 — — EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 — — WO disclosed
US-20040067977-A1 Tropane derivatives useful in therapy PFIZER, INC. 2004-04-08 — — US disclosed
EP-1284974-B1 TRIAZOLYL TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LTD (GB) 2004-03-03 — — EP disclosed
US-6667314-B2 For therapy of respiratory disorder including adult respiratory distress syndrome (ARDS), bronchitis, chronic bronchitis, chronic obstructive pulmonary disease, cystic fibrosis, asthma, emphysema, rhinitis or chronic sinusitis PFIZER, INC. 2003-12-23 — — US disclosed
US-6586430-B1 Administering azabicyclo compounds to treat human immunodeficiency virus infections and respiratory system disorders PFIZER INC. 2003-07-01 — — US disclosed
US-20020013337-A1 Tropane derivatives useful in therapy PHIVCO-1 LLC 2002-01-31 — — US 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 (6 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-20200071313-A1 HETEROARYL-SUBSTITUTED SULFONAMIDE COMPOUNDS AND THEIR USE AS SODIUM CHANNEL INHIBITORS SCN1A, SCN2A, SCN2B CHRM2 2915/4885CHRM4 3066/4885CHRM5 2922/4885
US-20020013337-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 CHRM2 16/4885CHRM4 68/4885CHRM5 31/4885
US-20040067977-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 CHRM2 16/4885CHRM4 68/4885CHRM5 31/4885
US-10752623-B2 Heteroaryl-substituted sulfonamide compounds and their use as sodium channel inhibitors SCN1A, SCN2A, SCN2B CHRM2 2915/4885CHRM4 3066/4885CHRM5 2922/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 CHRM2 332/4885CHRM4 387/4885CHRM5 346/4885
US-20240400575-A1 POLYCYCLIC COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 CHRM2 4484/4885CHRM4 4411/4885CHRM5 4488/4885

“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.