SCHEMBL1004285

SCHEMBL1004285

CC(=O)OCc1ccc(C(c2ccc(F)c(F)c2)N2CCCC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MCHR1 Q99705 4/20 0.38
ADRA1A P35348 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
PREP P48147 3/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 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
SCHEMBL1002847 0.83 MCHR1 (0.36) LMNAMCHR1ADRA1AALDH1A1CA12
SCHEMBL13034150 0.71 MAOB (0.58) LMNAALDH1A1CYP3A4CA2MAOA
SCHEMBL30216634 0.70 KMT2A (0.38) ADRA1ACYP3A4
SCHEMBL30216623 0.70 KMT2A (0.38) ADRA1ACYP3A4
SCHEMBL3556189 0.70 MCHR1 (0.44) LMNATSHRMCHR1ADRA1AALDH1A1
SCHEMBL3557183 0.69 MCHR1 (0.41) LMNATSHRMCHR1ADRA1AALDH1A1
SCHEMBL13084643 0.68 TACR1 (0.41) ALDH1A1MAOAMAOB
SCHEMBL13036285 0.68 TACR1 (0.41) ALDH1A1MAOAMAOB
SCHEMBL13036282 0.68 TACR1 (0.41) ALDH1A1MAOAMAOB
SCHEMBL13084688 0.67 NPSR1 (0.35) LMNATSHRCYP3A4PREP

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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM BANYU PHARMACEUTICAL CO., INC. 2011-01-20 US disclosed
EP-2272841-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING ANTAGONISTIC ACTIVITY ON MELANIN-CONCENTRATING HORMONE RECEPTOR Banyu Pharmaceutical Co., Ltd. (JP) 2011-01-12 EP 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-20110015198-A1 DIARYLMETHYLAMIDE DERIVATIVE HAVING MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISM MC1R, MCHR2, MCHR1 LMNA 3756/4885HPGD 2057/4885TSHR 23/4885

“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.