SCHEMBL4787204

SCHEMBL4787204

CN(Cc1ccc(F)cc1)c1ccc2c(c1)C(N)C(c1cccc(Cl)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.36
HTR2C P28335 6/20 0.36
HTR2B P41595 6/20 0.36
HRH3 Q9Y5N1 4/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 1/20 0.34
PPARA Q07869 1/20 0.34
TRPM4 Q8TD43 2/20 0.34
TRPM5 Q9NZQ8 2/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33

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
SCHEMBL4785505 0.92 HTR2A (0.37) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL4783845 0.91 HTR2A (0.36) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL4785125 0.89 HTR2A (0.36) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL4785890 0.88 OPRM1 (0.38) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL4934127 0.86 KDM1A (0.37) ALDH1A1TP53MDM2
SCHEMBL4786061 0.84 AOC3 (0.35) ALDH1A1MEN1KMT2AOPRM1OPRD1
SCHEMBL4787414 0.83 DPP4 (0.43) HTR2AHTR2CHTR2BHRH3TP53
SCHEMBL4783552 0.82 SLC6A2 (0.41) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL4787364 0.81 AOC3 (0.41) HTR2AHTR2CHTR2BHRH3SLC6A2
SCHEMBL4787329 0.81 KDM1A (0.37) HTR2AHTR2CHTR2BHRH3

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-2008089307-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF PAIN, INFLAMMATION AND CANCER LEXICON PHARMACEUTICALS, INC. (US) 2008-07-24 WO claimed
WO-2008089310-A2 DELTA 5 DESATURASE INHIBITORS FOR THE TREATMENT OF OBESITY 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 HTR2A 1056/4885HTR2C 1422/4885HTR2B 1566/4885
US-20080200458-A1 Methods and compositions for the treatment of body composition disorders CPT1B, CPT1A, SHBG HTR2A 1983/4885HTR2C 2027/4885HTR2B 2293/4885

“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.