SCHEMBL1751014

SCHEMBL1751014

COc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 15/20 0.56
MCHR1 Q99705 9/20 0.56
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
S1PR4 O95977 1/20 0.44
S1PR1 P21453 1/20 0.44
KMT2A Q03164 1/20 0.44
PAX8 Q06710 1/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 4/20 0.41
LMNA P02545 2/20 0.41
OPRK1 P41145 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL11158203 0.80 MCHR1 (0.40) NPBWR1MCHR1ALDH1A1MAPTHTT
SCHEMBL4062470 0.77 NPBWR1 (0.42) NPBWR1MCHR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL1750445 0.77 NPBWR1 (0.44) NPBWR1MCHR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL1550263 0.74 PTGS2 (0.52) SMN1; SMN2ALDH1A1NPC1MAPTHTT
SCHEMBL11284453 0.74 ATM (0.40) NPBWR1MCHR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL1750028 0.74 NPBWR1 (0.39) NPBWR1MCHR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL7910204 0.73 NPBWR1 (0.49) NPBWR1MCHR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL979263 0.71 HTR3A (0.38) SMN1; SMN2ALDH1A1NPC1MAPTHTT
SCHEMBL1750340 0.70 RAB9A (0.65) NPBWR1MCHR1SMN1; SMN2ALDH1A1NPC1
SCHEMBL9663927 0.67 MCHR1 (0.60) MCHR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2011-11-03 US claimed
US-7968711-B2 Isoprenyl-3-methylcyclohex-2-enyl)benzene-1,3-diol, 2-(3,5-Difluorophenyl)-5-hydroxypyridazin-3-one, 4-Bromo-2-(2,5-dichlorophenyl)-5-hydroxypyridazin-3-one; glaucoma or ocular hypertension ALLERGAN, INC. (US) 2011-06-28 US claimed
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2011-11-03 US disclosed
US-7968711-B2 Isoprenyl-3-methylcyclohex-2-enyl)benzene-1,3-diol, 2-(3,5-Difluorophenyl)-5-hydroxypyridazin-3-one, 4-Bromo-2-(2,5-dichlorophenyl)-5-hydroxypyridazin-3-one; glaucoma or ocular hypertension ALLERGAN, INC. (US) 2011-06-28 US disclosed
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 EP disclosed
EP-2010165-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE Allergan, Inc. (US) 2009-01-07 EP disclosed
WO-2007127711-A2 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. (US) 2007-11-08 WO disclosed
US-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN, INC. 2007-10-25 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 (2 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-20070249596-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR NPBWR1 414/4885MCHR1 507/4885SMN1; SMN2 4837/4885
US-20110269715-A1 ABNORMAL CANNABIDIOLS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE CNR2, CNR1, PTGIR NPBWR1 414/4885MCHR1 507/4885SMN1; SMN2 4837/4885

“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.