SCHEMBL6656375

SCHEMBL6656375

CCCS(=O)(=O)Nc1cccc([C@@]2(C)CCNC[C@@H]2C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.44
BRD4 O60885 4/20 0.39
GAK O14976 1/20 0.37
STK16 O75716 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
OPRK1 P41145 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 2/20 0.35
LRRK2 Q5S007 1/20 0.35
KIT P10721 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL7756051 1.00 OPRM1 (0.44) OPRM1BRD4GAKSTK16AAK1
SCHEMBL7757867 1.00 OPRM1 (0.44) OPRM1BRD4GAKSTK16AAK1
SCHEMBL6653714 0.92 OPRM1 (0.47) OPRM1BRD4OPRK1MEN1KMT2A
SCHEMBL6653711 0.92 OPRM1 (0.47) OPRM1BRD4OPRK1MEN1KMT2A
SCHEMBL6659961 0.85 OPRM1 (0.43) OPRM1BRD4OPRK1SMN1; SMN2
SCHEMBL6659963 0.85 OPRM1 (0.43) OPRM1BRD4OPRK1SMN1; SMN2
SCHEMBL7755174 0.85 OPRM1 (0.41) OPRM1BRD4OPRK1KMT2ANPC1
SCHEMBL6527559 0.80 OPRM1 (0.39) OPRM1OPRK1
SCHEMBL7754596 0.79 PKM (0.45) OPRM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7755278 0.79 OPRM1 (0.36) OPRM1OPRK1

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 OPRM1 409/4885BRD4 517/4885GAK 2229/4885

“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.