SCHEMBL4982285

SCHEMBL4982285

O=C(O)C(Cc1ccc(Cl)cc1)C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
BCL2L1 Q07817 1/20 0.49
MCL1 Q07820 1/20 0.49
POLB P06746 2/20 0.49
PPARA Q07869 2/20 0.47
PPARD Q03181 1/20 0.47
PPARG P37231 1/20 0.46
EPHX1 P07099 2/20 0.46
LMNA P02545 1/20 0.45
CPA1 P15085 2/20 0.44
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42

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
SCHEMBL7659450 0.86 CPN1 (0.51) CYP2C9CYP2C19HIF1ABCL2L1MCL1
SCHEMBL3516893 0.86 POLB (0.48) CYP2C9CYP2C19HIF1ABCL2L1MCL1
SCHEMBL27495306 0.83 CYP2C9 (0.61) CYP2C9CYP2C19HIF1AEPHX1CPA1
SCHEMBL28309177 0.83 CYP2C9 (0.55) CYP2C9CYP2C19HIF1APPARAPPARD
SCHEMBL3519591 0.82 POLB (0.48) POLBEPHX1LMNANPC1RAB9A
SCHEMBL8638018 0.81 CYP2C9 (0.55) CYP2C9CYP2C19HIF1ACPA1MME
SCHEMBL11859248 0.79 PTGS1 (0.58) CYP2C9CYP2C19HIF1AEPHX1LMNA
SCHEMBL6379276 0.79 CYP2C9 (0.53) CYP2C9CYP2C19HIF1APPARAPPARD
SCHEMBL6382625 0.79 CYP2C9 (0.53) CYP2C9CYP2C19HIF1APPARAPPARD
SCHEMBL6382622 0.79 CYP2C9 (0.53) CYP2C9CYP2C19HIF1APPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390835-B2 Aralkyl amines as cannabinoid receptor modulators MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-20070088058-A1 3-(1(S)(4-chlorobenzyl)-2(S)-((2-hydroxy-2-methyl-1-phenylpropyl)amino)propyl)-benzonitrile; obesity; potentiation; antagonists MERCK SHARP & DOHME CORP. 2007-04-19 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 (1 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-20070088058-A1 3-(1(S)(4-chlorobenzyl)-2(S)-((2-hydroxy-2-methyl-1-phenylpropyl)amino)propyl)-benzonitrile; obesity; potentiation; antagonists CNR2, CNR1, CHRNA4 CYP2C9 1585/4885CYP2C19 1393/4885HIF1A 1290/4885

“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.