SCHEMBL4785890

SCHEMBL4785890

COc1ccc(CN(C)c2ccc3c(c2)C(N)C(c2cccc(Cl)c2)C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
BCL2A1 Q16548 1/20 0.38
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1S Q13698 1/20 0.35
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
HTR2B P41595 4/20 0.35
HRH3 Q9Y5N1 4/20 0.35
DPP4 P27487 2/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34

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
SCHEMBL4787414 0.91 DPP4 (0.43) OPRM1OPRD1OPRK1TP53KCNH2
SCHEMBL4785505 0.90 HTR2A (0.37) OPRM1OPRD1OPRK1HTR2AHTR2C
SCHEMBL4783845 0.89 HTR2A (0.36) OPRM1OPRD1OPRK1TP53HTR2A
SCHEMBL4787204 0.88 HTR2A (0.36) OPRM1OPRD1OPRK1TP53MEN1
SCHEMBL4786927 0.87 DHFR (0.44) KCNH2MEN1KMT2ACACNA1SHTR2A
SCHEMBL4784968 0.87 HTR2A (0.38) CACNA1SHTR2AHTR2CHTR2BHRH3
SCHEMBL4787329 0.86 KDM1A (0.37) CACNA1SHTR2AHTR2CHTR2BHRH3
SCHEMBL4934127 0.86 KDM1A (0.37) TP53MCHR1DPP4
SCHEMBL4785125 0.86 HTR2A (0.36) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL4786061 0.83 AOC3 (0.35) OPRM1OPRD1OPRK1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders LEXICON PHARMACEUTICALS, INC. 2008-08-21 US disclosed
US-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer LEXICON PHARMACEUTICALS, INC. 2008-08-14 US disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO 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-20080194557-A1 Methods and compositions for the treatment of pain, inflammation and cancer TNF, IL6, CXCL8 OPRM1 300/4885OPRD1 509/4885OPRK1 78/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG OPRM1 2561/4885OPRD1 3417/4885OPRK1 1955/4885

“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.