SCHEMBL954586

SCHEMBL954586

CN1CC[C@@H](C(C(N)=O)(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CHRM3 P20309 9/20 0.51
▸ CHRM2 P08172 4/20 0.51
▸ CHRM4 P08173 2/20 0.51
▸ CHRM5 P08912 2/20 0.51
▸ CHRM1 P11229 2/20 0.51
▸ KCNH2 Q12809 2/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ ADRB1 P08588 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ KCNE1 P15382 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ HRH2 P25021 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ ADRA1A P35348 1/20 0.51
▸ OPRM1 P35372 1/20 0.51

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
SCHEMBL954588 1.00 ATM (0.51) ATML3MBTL1CHRM3CHRM2CHRM4
SCHEMBL14000465 1.00 ATM (0.51) ATML3MBTL1CHRM3CHRM2CHRM4
SCHEMBL11376989 0.88 KCNH2 (0.50) ATML3MBTL1CHRM3CHRM2CHRM4
SCHEMBL11834928 0.87 ACKR3 (0.47) ATML3MBTL1CHRM3CHRM2CHRM4
SCHEMBL13621092 0.87 ATM (0.52) ATML3MBTL1CHRM3CHRM4CHRM5
Hydrochloric Acid SCHEMBL11408704 0.86 KCNH2 (0.49) ATML3MBTL1CHRM3CHRM2CHRM4
SCHEMBL10869251 0.83 CHRM3 (0.60) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL11725897 0.83 ATM (0.49) ATML3MBTL1CHRM3CHRM4CHRM5
SCHEMBL13721373 0.82 CHRM3 (0.60) CHRM3CHRM2CHRM4CHRM5CHRM1
SCHEMBL13590331 0.82 CHRM3 (0.52) ATML3MBTL1CHRM3CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121594-B1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-10-21 — — EP disclosed
EP-2121594-B1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE BIOPHARMA R & D IP LLC (US) 2015-10-21 — — EP disclosed
US-8802856-B2 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-08-12 — — US disclosed
US-8802856-B2 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-08-12 — — US disclosed
US-8802856-B2 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC (US) 2014-08-12 — — US disclosed
US-20140051864-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-02-20 — — US disclosed
US-20140051864-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-02-20 — — US disclosed
US-20140051864-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2014-02-20 — — US disclosed
US-8592453-B2 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-11-26 — — US disclosed
US-8378121-B2 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2013-02-19 — — US disclosed
US-20110021787-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-01-27 — — US disclosed
US-20110021787-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-01-27 — — US disclosed
US-20110021787-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2011-01-27 — — US disclosed
US-7834185-B2 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-11-16 — — US disclosed
US-7834185-B2 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-11-16 — — US disclosed
US-7834185-B2 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE, INC. (US) 2010-11-16 — — US disclosed
US-20080207736-A1 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-28 — — US disclosed
US-20080207736-A1 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-28 — — US disclosed
US-20080207736-A1 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-28 — — US disclosed
WO-2008103426-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2008-08-28 — — WO 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 (3 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-20080207736-A1 Quaternary ammonium diphenylmethyl compounds useful as muscarinic receptor antagonists CHRM2, CHRM5, CHRM1 ATM 3813/4885L3MBTL1 3110/4885CHRM3 4/4885
US-20110021787-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 ATM 3813/4885L3MBTL1 3110/4885CHRM3 4/4885
US-20140051864-A1 QUATERNARY AMMONIUM DIPHENYLMETHYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM5, CHRM1 ATM 3813/4885L3MBTL1 3110/4885CHRM3 4/4885

“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.

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