SCHEMBL6659961

SCHEMBL6659961

C[C@H]1CNCC[C@]1(C)c1cccc(NS(C)(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.43
TYRO3 Q06418 1/20 0.39
BRD4 O60885 2/20 0.39
KCNH2 Q12809 3/20 0.39
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
CREBBP Q92793 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TDP2 O95551 2/20 0.37
KIF11 P52732 1/20 0.37
KDM1A O60341 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL6659963 1.00 OPRM1 (0.43) OPRM1TYRO3BRD4KCNH2OPRD1
SCHEMBL6653714 0.88 OPRM1 (0.47) OPRM1BRD4OPRK1ALDH1A1KDM1A
SCHEMBL6653711 0.88 OPRM1 (0.47) OPRM1BRD4OPRK1ALDH1A1KDM1A
SCHEMBL7757867 0.85 OPRM1 (0.44) OPRM1BRD4OPRK1SMN1; SMN2
SCHEMBL7756051 0.85 OPRM1 (0.44) OPRM1BRD4OPRK1SMN1; SMN2
SCHEMBL6656375 0.85 OPRM1 (0.44) OPRM1BRD4OPRK1SMN1; SMN2
SCHEMBL7754596 0.83 PKM (0.45) OPRM1ALDH1A1SMN1; SMN2
SCHEMBL7755174 0.83 OPRM1 (0.41) OPRM1BRD4OPRK1ALDH1A1
SCHEMBL7755278 0.83 OPRM1 (0.36) OPRM1OPRD1OPRK1
SCHEMBL7756374 0.81 KMT2A (0.47) OPRM1BRD4ALDH1A1SMN1; SMN2POLB

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 409/4885TYRO3 1421/4885BRD4 517/4885

“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.