SCHEMBL927409

SCHEMBL927409

O=C(Cl)c1nccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.53
RAB9A P51151 2/20 0.51
PLAU P00749 2/20 0.47
CYP2A6 P11509 1/20 0.47
F12 P00748 1/20 0.47
NCF1 P14598 1/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
BACE1 P56817 1/20 0.47
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
PLG P00747 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
Hydrochloric Acid SCHEMBL9684991 0.98 CNR2 (0.51) CNR2RAB9APLAUCYP2A6F12
SCHEMBL4404077 0.84 CNR2 (0.64) CNR2RAB9APLAUCYP2A6F12
SCHEMBL287165 0.82 RAB9A (0.56) CNR2RAB9APLAUCYP2A6F12
SCHEMBL5357601 0.82 CNR2 (0.54) CNR2RAB9APLAUCYP2A6F12
SCHEMBL29358323 0.81 CNR2 (0.53) CNR2RAB9APLAUCYP2A6F12
SCHEMBL22664584 0.81 RAB9A (0.55) CNR2RAB9APLAUCYP2A6F12
Hydrochloric Acid SCHEMBL3294760 0.81 RAB9A (0.55) CNR2RAB9APLAUCYP2A6F12
SCHEMBL970997 0.81 CNR2 (0.53) CNR2RAB9APLAUCYP2A6F12
SCHEMBL349832 0.81 CNR2 (0.56) CNR2RAB9APLAUCYP2A6F12
SCHEMBL28492272 0.81 CNR2 (0.53) CNR2RAB9APLAUCYP2A6F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110407808-B Novel crystal form of (1S) -1-phenyl-3, 4-dihydro-1H-isoquinoline-2-carbonyl imidazole and preparation method thereof 燃点(南京)生物医药科技有限公司 2022-04-15 CN disclosed
US-8598224-B2 Method for treating cannabinoid receptor related diseases with cannabinoid receptor ligands ABBVIE INC. (US) 2013-12-03 US disclosed
US-20110086838-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7868038-B2 Compounds as cannabinoid receptor ligands ABBOTT LABORATORIES (US) 2011-01-11 US disclosed
US-7737283-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2010-06-15 US disclosed
US-7531566-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2009-05-12 US disclosed
US-20090105230-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2009-04-23 US disclosed
US-20090075986-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2009-03-19 US disclosed
US-20080187978-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-08-07 US disclosed
US-20080132506-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-06-05 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
EP-1773784-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-04-18 EP disclosed
US-7202257-B2 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC (US) 2007-04-10 US disclosed
US-20070037808-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-02-15 US disclosed
WO-2006014290-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-02-09 WO disclosed
US-20050288286-A1 Anti-inflammatory medicaments DECIPHERA PHARMACEUTICALS, LLC 2005-12-29 US disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 US disclosed
US-5670511-A Indolepiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-09-23 US disclosed
US-4001244-A 1-ARYL-3,4-DIHYDRO-2(1H)-ISOQUINOLINE CARBONYL CHLORIDES G. D. SEARLE & CO. (US) 1977-01-04 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 (9 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-20090105230-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF CNR2 597/4885RAB9A 4458/4885PLAU 822/4885
US-20090075986-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF CNR2 597/4885RAB9A 4458/4885PLAU 822/4885
US-20070037808-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 CNR2 2183/4885RAB9A 3038/4885PLAU 1942/4885
US-20050288286-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF CNR2 597/4885RAB9A 4458/4885PLAU 822/4885
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT CNR2 1079/4885RAB9A 2603/4885PLAU 4658/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 CNR2 2183/4885RAB9A 3038/4885PLAU 1942/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT CNR2 1079/4885RAB9A 2603/4885PLAU 4658/4885
US-20110086838-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS CNR1, CNR2, NPSR1 CNR2 2/4885RAB9A 759/4885PLAU 4789/4885
US-20080132506-A1 Anti-inflammatory medicaments MIF, PTGES2, TNF CNR2 597/4885RAB9A 4458/4885PLAU 822/4885

“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.