SCHEMBL6654974

SCHEMBL6654974

COc1cccc(CCOS(=O)(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
CHRM2 P08172 3/20 0.48
CHRM1 P11229 3/20 0.48
CHRM3 P20309 3/20 0.48
TAAR1 Q96RJ0 1/20 0.47
MAOB P27338 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
TMEM97 Q5BJF2 2/20 0.44
BMP1 P13497 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL3960748 0.88 CHRM2 (0.49) LMNACHRM2CHRM1CHRM3TAAR1
SCHEMBL10836094 0.81 CHRM2 (0.50) LMNACHRM2CHRM1CHRM3TAAR1
SCHEMBL4859900 0.79 TAAR1 (0.56) CHRM2CHRM1CHRM3TAAR1SIGMAR1
SCHEMBL8098024 0.78 EGFR (0.51) TAAR1MAOBCA1CA9ALDH1A1
SCHEMBL6654396 0.78 TAAR1 (0.46) TAAR1MAPT
SCHEMBL18289526 0.76 CYP19A1 (0.50) CA1CA2CA9
SCHEMBL31618046 0.75 HTT (0.51) HTT
SCHEMBL6963150 0.75 CHRM2 (0.47) LMNACHRM2CHRM1CHRM3TAAR1
SCHEMBL828951 0.75 EGFR (0.47) TSHRCA1CA2CA9ALDH1A1
SCHEMBL8993165 0.74 PKM (0.52) LMNAHTTCHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077940-B1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER (US) 2004-07-14 EP disclosed
US-6610711-B2 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-08-26 US disclosed
US-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses PFIZER INC. 2003-04-24 US disclosed
EP-1077940-A1 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 2001-02-28 EP disclosed
WO-1999059971-A1 NOVEL 4-PHENYLPIPERIDINES FOR THE TREATMENT OF PRURITIC DERMATOSES PFIZER INC. (US) 1999-11-25 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 (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-20030078282-A1 Novel 4-phenylpiperidines for the treatment of pruritic dermatoses HRH2, HRH4, HRH1 LMNA 4133/4885HTT 3828/4885ALOX15 1647/4885

“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.