SCHEMBL694191

SCHEMBL694191

Fc1cccc(-c2c[c]ccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
ESR2 Q92731 1/20 0.48
IDO1 P14902 2/20 0.42
CYP17A1 P05093 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NOTUM Q6P988 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
NISCH Q9Y2I1 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL2752387 0.85 NOTUM (0.35) TAAR1ESR2IDO1NOTUM
SCHEMBL17200836 0.84 MEN1 (0.39) CYP3A4HSD17B1HSD17B2MEN1KMT2A
SCHEMBL17200853 0.84 MEN1 (0.39) CYP3A4HSD17B1HSD17B2MEN1KMT2A
SCHEMBL1510123 0.79 ALDH1A1 (0.37) CYP3A4HSD17B1HSD17B2MEN1KMT2A
SCHEMBL198702 0.79 TAAR1 (0.68) TAAR1ESR2IDO1CYP17A1CYP3A4
SCHEMBL610112 0.79 ALDH1A1 (0.33)
SCHEMBL316987 0.78 TAAR1 (0.57) TAAR1ESR2IDO1CYP17A1CYP3A4
SCHEMBL2449354 0.78 MAOA (0.43) CYP3A4HSD17B1HSD17B2NISCHMEN1
SCHEMBL694005 0.78 BCL2L1 (0.35) TAAR1ESR2HSD17B1HSD17B2MEN1
SCHEMBL24793 0.78 MAOA (0.43) CYP3A4HSD17B1HSD17B2NISCHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
CN-102459167-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-04-01 CN claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US claimed
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 US claimed
EP-2629851-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2013-08-28 EP claimed
CN-103260703-A Piperidin-4-yl-azetidinediamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2013-08-21 CN claimed
US-8513423-B2 Piperidin-4-yl-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 US claimed
US-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-04-25 US claimed
CN-102459167-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
WO-2012054716-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV. (BE) 2012-04-26 WO claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110118234-A1 Urea Compounds as Gamma Secretase Modulators AMGEN INC. 2011-05-19 US claimed
EP-2300427-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2011-03-30 EP claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2009137404-A1 UREA COMPOUNDS AS GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-11-12 WO claimed
WO-2003051879-A1 KNOWN AND NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES USEFUL AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ALTANA PHARMA AG (DE) 2003-06-26 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 (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-20110118234-A1 Urea Compounds as Gamma Secretase Modulators BACE1, BACE2, PSEN1 TAAR1 4117/4885ESR2 755/4885IDO1 4115/4885
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP TAAR1 2147/4885ESR2 3639/4885IDO1 660/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA TAAR1 2055/4885ESR2 2261/4885IDO1 1554/4885
US-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL TAAR1 2162/4885ESR2 2730/4885IDO1 1111/4885
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL TAAR1 2303/4885ESR2 3400/4885IDO1 1653/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA TAAR1 2055/4885ESR2 2261/4885IDO1 1554/4885

“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.