SCHEMBL4787364

SCHEMBL4787364

CN(CCc1ccccc1)c1ccc2c(c1)C(N)C(c1cccc(Cl)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.41
HTR2A P28223 6/20 0.39
HTR2C P28335 6/20 0.39
HTR2B P41595 6/20 0.39
HRH3 Q9Y5N1 4/20 0.39
TAAR1 Q96RJ0 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HSD17B2 P37059 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
HTR7 P34969 1/20 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
SCHEMBL4783552 0.87 SLC6A2 (0.41) AOC3HTR2AHTR2CHTR2BHRH3
SCHEMBL4787375 0.84 HTR2A (0.37) AOC3HTR2AHTR2CHTR2BHRH3
SCHEMBL4785505 0.82 HTR2A (0.37) HTR2AHTR2CHTR2BHRH3TAAR1
SCHEMBL4783845 0.82 HTR2A (0.36) HTR2AHTR2CHTR2BHRH3TAAR1
SCHEMBL4787204 0.81 HTR2A (0.36) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL4787414 0.81 DPP4 (0.43) AOC3HTR2AHTR2CHTR2BHRH3
SCHEMBL4785890 0.79 OPRM1 (0.38) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL4785125 0.79 HTR2A (0.36) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL4930959 0.78 HTR2A (0.39) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL4784968 0.75 HTR2A (0.38) HTR2AHTR2CHTR2BHRH3SLC6A2

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-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO disclosed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY 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 AOC3 2060/4885HTR2A 1056/4885HTR2C 1422/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG AOC3 2071/4885HTR2A 1983/4885HTR2C 2027/4885

“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.