SCHEMBL3619632

SCHEMBL3619632

O=C1CNCc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
CYP2A6 P11509 1/20 0.52
PNMT P11086 1/20 0.46
CD44 P16070 1/20 0.46
MAOB P27338 1/20 0.46
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AHR P35869 1/20 0.39
PDK2 Q15119 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
MAOA P21397 1/20 0.38
OXTR P30559 1/20 0.38
TDP2 O95551 1/20 0.36
CASP3 P42574 1/20 0.36
CASP7 P55210 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
MAP3K14 Q99558 1/20 0.36

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
SCHEMBL19939638 0.83 ALOX15 (0.58) CYP1A2PNMTCD44MAOBALOX15
SCHEMBL29351494 0.80
SCHEMBL10612 0.80
SCHEMBL13590042 0.80 PNMT (0.65) PNMTCD44MAOBALOX15HSD17B10
Ammonia Solution, Strong SCHEMBL16296133 0.77 PNMT (0.62) PNMTCD44MAOBALOX15HSD17B10
Hydrochloric Acid SCHEMBL4702076 0.77 PNMT (0.62) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL77106 0.77 CYP1A2 (1.00) CYP1A2CYP2A6MAOBAHRPDK2
SCHEMBL29366435 0.77 CYP1A2 (1.00) CYP1A2CYP2A6MAOBAHRPDK2
Methane SCHEMBL11147358 0.77 PNMT (0.62) PNMTCD44MAOBALOX15HSD17B10
SCHEMBL28633341 0.77 PNMT (0.62) PNMTCD44MAOBALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-01-21 US disclosed
US-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US disclosed
US-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 US disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090010923-A1 TREATMENT OF CANCER WITH ANTI-MUSCARINIC RECEPTOR AGENTS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2009-01-08 US disclosed
EP-1765809-B1 XANTHINE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LAB LTD (IN) 2008-12-31 EP disclosed
US-20080319002-A1 Xanthine Derivatives a Useful as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US disclosed
US-20080280883-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-13 US disclosed
US-7446123-B2 Azabicyclo derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-11-04 US disclosed
US-20080262075-A1 Pyrrolidine Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-23 US disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO disclosed
WO-2006032994-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-03-30 WO disclosed
WO-2006018708-A2 PYRROLIDINE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-02-23 WO disclosed
EP-1626957-A1 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2006-02-22 EP disclosed
WO-2006016245-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-02-16 WO disclosed
EP-1620087-A1 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2006-02-01 EP disclosed
WO-2006005980-A1 XANTHINE DERIVATIVES USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-01-19 WO disclosed
WO-2004089364-A1 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-10-21 WO disclosed
WO-2004089900-A1 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-10-21 WO disclosed
EP-1294697-A1 1,2,3,5-TETRAHYDROBENZO[C]AZEPIN-4-ONE DERIVATIVES HAVING MUSCARINIC ANTAGONIST ACTIVITY Muscagen Limited (GB) 2003-03-26 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 (7 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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C CYP1A2 722/4885CYP2A6 1277/4885PNMT 1218/4885
US-20080262075-A1 Pyrrolidine Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 CYP1A2 649/4885CYP2A6 1687/4885PNMT 53/4885
US-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CYP1A2 541/4885CYP2A6 736/4885PNMT 253/4885
US-20080280883-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 CYP1A2 512/4885CYP2A6 683/4885PNMT 240/4885
US-20100016400-A1 AZABICYCLIC MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CYP1A2 374/4885CYP2A6 464/4885PNMT 341/4885
US-20080319002-A1 Xanthine Derivatives a Useful as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 CYP1A2 311/4885CYP2A6 520/4885PNMT 661/4885
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CYP1A2 355/4885CYP2A6 630/4885PNMT 249/4885

“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.