SCHEMBL696583

SCHEMBL696583

Clc1ccc(COc2cc[c]cc2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
CYP2D6 P10635 2/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C19 P33261 1/20 0.49
S1PR1 P21453 1/20 0.48
HTR2A P28223 1/20 0.48
KCNH2 Q12809 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
S1PR5 Q9H228 1/20 0.48
PTPN1 P18031 2/20 0.47
MAOB P27338 6/20 0.47
MAOA P21397 2/20 0.47
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
FFAR1 O14842 3/20 0.45

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
SCHEMBL17514959 0.85 HRH3 (0.42) MAOBMAOA
SCHEMBL696546 0.85 MAOB (0.48) MAOBMAOA
SCHEMBL4796227 0.81 NPC1 (0.60) IDO1CYP2D6NPC1ALDH1A1CYP2C19
SCHEMBL11118881 0.81 MRGPRX4 (0.59) IDO1CYP2D6NPC1ALDH1A1CYP2C19
SCHEMBL8371568 0.80 NPC1 (0.48) IDO1CYP2D6NPC1ALDH1A1CYP2C19
SCHEMBL5512534 0.80 IDO1 (0.53) IDO1CYP2D6NPC1ALDH1A1CYP2C19
SCHEMBL696444 0.79 MAOB (0.61) IDO1NPC1MAOBMAOARAB9A
SCHEMBL11602614 0.79 MAOB (0.57) IDO1CYP2D6NPC1ALDH1A1CYP2C19
SCHEMBL1508212 0.79 APP (0.56) IDO1CYP2D6NPC1ALDH1A1CYP2C19
SCHEMBL508773 0.79 S1PR1 (0.55) IDO1CYP2D6NPC1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
EP-2421847-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-8623858-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-01-07 US disclosed
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-05-16 US disclosed
US-8362000-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US disclosed
WO-2012096824-A1 PHENYLGLYOXYLIC ACID DERIVATIVES AND THEIR PREPARATION AND USE TRANSTECH PHARMA, INC. (US) 2012-07-19 WO disclosed
EP-2421847-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-8030445-B2 Glycopeptide derivative THERAVANCE, INC. (US) 2011-10-04 US disclosed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US disclosed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO disclosed
US-6444786-B1 BACTERICIDES ADVANCED MEDICINE, INC. 2002-09-03 US disclosed
US-6392012-B1 COMPOUND FOR USE IN TREATMENT AND PREVENTION OF BACTERIAL INFECTION ADVANCED MEDICINE, INC. 2002-05-21 US disclosed
US-20020055464-A1 Polyacid glycopeptide derivatives THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2002-05-09 US disclosed
WO-2001083520-A2 POLYACID GLYCOPEPTIDE DERIVATIVES THERAVANCE,INC (US) 2001-11-08 WO disclosed
EP-1140993-A1 GLYCOPEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Advanced Medicine, Inc. (US) 2001-10-10 EP disclosed
WO-2001057071-A2 GLYCOPEPTIDE DERIVATIVES HAVING ANTIBIOTIC ACTIVITY ADVANCED MEDICINE, INC. (US) 2001-08-09 WO disclosed
WO-2000039156-A1 GLYCOPEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ADVANCED MEDICINE, INC. (US) 2000-07-06 WO disclosed
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 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 (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-20020055464-A1 Polyacid glycopeptide derivatives B3GAT3, GYPA, MGAT3 IDO1 3651/4885CYP2D6 2659/4885NPC1 3336/4885
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA IDO1 1554/4885CYP2D6 855/4885NPC1 187/4885
US-20130123233-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA IDO1 1554/4885CYP2D6 855/4885NPC1 187/4885

“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.