SCHEMBL533206

SCHEMBL533206

Clc1ccccc1-c1cc[c]cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.65
MAOB P27338 2/20 0.47
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
DPP4 P27487 1/20 0.39
AR P10275 1/20 0.39
ALDH1A1 P00352 1/20 0.38
USP7 Q93009 1/20 0.38
HSD11B1 P28845 1/20 0.38
SCN9A Q15858 1/20 0.38
BACE1 P56817 1/20 0.37
TRPA1 O75762 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
DHODH Q02127 1/20 0.36
IDO1 P14902 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
Water SCHEMBL9550934 0.82 CYP2A6 (0.94) CYP2A6MAOBLMNATSHRNPC1
SCHEMBL533595 0.82 CNR2 (0.46) CYP2A6TSHRSCN9ADHODHIDO1
SCHEMBL7464322 0.80 CYP2A6 (0.52) CYP2A6NPC1RAB9ASMN1; SMN2TP53
SCHEMBL29355088 0.79 CYP2A6 (1.00) CYP2A6MAOBLMNATSHRNPC1
Benzene SCHEMBL28342327 0.79 CYP2A6 (1.00) CYP2A6MAOBLMNATSHRNPC1
SCHEMBL23628571 0.79 CYP2A6 (1.00) CYP2A6MAOBLMNATSHRNPC1
SCHEMBL1836912 0.79 MAPK1 (0.36) CYP2A6LMNATSHRNPC1RAB9A
SCHEMBL170230 0.79 CYP2A6 (1.00) CYP2A6MAOBLMNATSHRNPC1
SCHEMBL3540772 0.79 CYP2A6 (0.40) CYP2A6IDO1
SCHEMBL7458985 0.77 CYP2A6 (0.48) CYP2A6HPGDDPP4ALDH1A1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP claimed
EP-2421852-B9 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2015-07-01 EP claimed
CN-102548983-B Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2014-09-17 CN claimed
US-8815839-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-08-26 US claimed
EP-2421852-B1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITOR JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP claimed
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND UBE INDUSTRIES, LTD. (JP) 2014-04-24 US claimed
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-07-18 US claimed
US-8415341-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-04-09 US claimed
US-8362001-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2013-01-29 US claimed
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA UBE INDUSTRIES, LTD. (JP) 2012-07-26 US claimed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 WO claimed
US-20050197336-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-09-08 US claimed
US-6939947-B2 N1-modified glycopeptides INTERMUNE, INC. (US) 2005-09-06 US claimed
US-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 US claimed
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLEY Q (US) 2003-06-05 US claimed
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLY O (US) 2002-02-07 US claimed
US-6288120-B1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. 2001-09-11 US claimed
CN-1241176-A Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER (US) 2000-01-12 CN claimed
EP-0946501-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1999-10-06 EP claimed
WO-1998028264-A1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER INC. (US) 1998-07-02 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 (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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 CYP2A6 1234/4885MAOB 1351/4885LMNA 705/4885
US-20020016368-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 CYP2A6 1234/4885MAOB 1351/4885LMNA 705/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 CYP2A6 1234/4885MAOB 1351/4885LMNA 705/4885
US-20050197336-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 CYP2A6 4180/4885MAOB 1385/4885LMNA 1419/4885
US-20130184251-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC CYP2A6 564/4885MAOB 177/4885LMNA 1955/4885
US-20140113907-A1 PYRIDYLAMINOACETIC ACID COMPOUND PTGER2, PTGER1, PTGDR2 CYP2A6 215/4885MAOB 472/4885LMNA 2331/4885
US-20120190852-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF GLAUCOMA F12, C1S, AKR1C3 CYP2A6 43/4885MAOB 208/4885LMNA 807/4885

“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.