SCHEMBL694336

SCHEMBL694336

CCCCNc1cc[c]cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.40
SCN5A Q14524 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.40
CNR1 P21554 1/20 0.40
DRD4 P21917 1/20 0.40
ACHE P22303 1/20 0.40
HRH2 P25021 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40
NTSR1 P30989 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SCN1A P35498 1/20 0.40
HTR2B P41595 1/20 0.40
SCN7A Q01118 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL1414747 0.94 ABL1 (0.45) MAPTALDH1A1SIGMAR1HRH3ABL1
SCHEMBL222543 0.92 ABL1 (0.47) MAPTALDH1A1LMNAABL1KCNH3
SCHEMBL220260 0.92 ABL1 (0.47) MAPTALDH1A1LMNAABL1KCNH3
SCHEMBL2874812 0.92 ABL1 (0.47) MAPTALDH1A1LMNAABL1KCNH3
SCHEMBL7863952 0.92 ABL1 (0.47) MAPTALDH1A1LMNAABL1KCNH3
SCHEMBL7864090 0.92 ABL1 (0.47) MAPTALDH1A1LMNAABL1KCNH3
SCHEMBL2059888 0.92 ABL1 (0.47) MAPTALDH1A1LMNAABL1KCNH3
SCHEMBL5543069 0.92 ABL1 (0.47) MAPTALDH1A1LMNAABL1KCNH3
SCHEMBL10769826 0.92 ABL1 (0.47) MAPTALDH1A1LMNAABL1KCNH3
SCHEMBL7847730 0.92 ABL1 (0.47) MAPTALDH1A1LMNAABL1KCNH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US claimed
CN-102803210-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-11-28 CN claimed
EP-2421824-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124114-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-1194428-B1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS DIMENSIONAL PHARM INC (US) 2003-09-17 EP claimed
US-6608082-B1 Treatment of erectile dysfunction using isoquinoline compound melanocortin receptor ligands LION BIOSCIENCE AG (DE) 2003-08-19 US claimed
US-6495681-B1 PRODUCING LOCAL ANESTHESIA OF LONG-DURATION. THE COMPOUNDS OF THIS INVENTION ARE MULTIBINDING COMPOUNDS THAT COMPRISE FROM 2 TO 10 LIGANDS COVALENTLY ATTACHED TO A LINKER OR LINKERS, EACH LIGAND BEING CAPABLE OF BINDING TO A LIGAND BINDING SITE THERAVANCE INC. 2002-12-17 US claimed
EP-1230577-A1 OPTICAL SHUTTER Carlson, Steven A. (US) 2002-08-14 EP claimed
US-6420397-B1 Heteroaryl protease inhibitors and diagnostic imaging agents 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-07-16 US claimed
US-6225302-B1 Amidino protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-01 US claimed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
WO-2001004117-A1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-01-18 WO claimed
US-6133315-A ADMINISTERING TO TREAT PANCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION IN A MAMMAL; COMPOUNDS SUCH AS 2-CHLOROBENZENESULFONIC ACID 3-(3-AMIDINOPROPOXY)-5-METHYLPHENYL ESTER HYDROCHLORIDE 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-10-17 US claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
EP-0830349-B1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS DU PONT PHARM CO (US) 2000-03-22 EP claimed
US-6034127-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-07 US claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed
EP-0830349-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-03-25 EP claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed

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

For each of this compound's patents that has machine-readable text (1 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-20110015170-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA MAPT 4519/4885ALDH1A1 364/4885LMNA 2009/4885

“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.