SCHEMBL6602364

SCHEMBL6602364

COC(=N)c1cccc(C2(C)CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
OPRL1 P41146 1/20 0.48
OPRM1 P35372 4/20 0.47
OPRK1 P41145 2/20 0.47
POLB P06746 1/20 0.47
CHRM2 P08172 2/20 0.44
CHRM3 P20309 2/20 0.44
SIGMAR1 Q99720 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 2/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6601752 0.79 OPRD1 (0.62) OPRL1OPRM1OPRK1POLBSIGMAR1
SCHEMBL3252230 0.78 OPRL1 (0.65) OPRL1OPRM1POLBCHRM2CHRM3
SCHEMBL27550808 0.77 OPRL1 (0.63) OPRL1OPRM1POLBCHRM2CHRM3
Hydrochloric Acid SCHEMBL6160179 0.77 POLB (0.66) OPRL1OPRM1POLBCHRM2CHRM3
SCHEMBL6600993 0.73 OPRM1 (0.56) OPRL1OPRM1POLBCHRM3MEN1
SCHEMBL30976376 0.72 SIGMAR1 (0.68) POLBCHRM3SIGMAR1MEN1KMT2A
SCHEMBL6603218 0.72 DRD2 (0.47) KDM4ENPSR1OPRL1OPRM1OPRK1
SCHEMBL6529499 0.72 ALDH1A1 (0.65) KDM4EOPRL1OPRM1OPRK1CHRM2
SCHEMBL6601648 0.70 DRD2 (0.45) KDM4ENPSR1OPRL1OPRM1POLB
SCHEMBL654066 0.70 CCR3 (0.68) OPRL1OPRM1POLBSIGMAR1ALDH1A1

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-1072601-B1 4-arylpiperidine derivatives for the treatment of pruritus PFIZER (US) 2004-09-08 EP disclosed
US-6750231-B2 SKIN DISORDERS; GASTROINTESTINAL DISORDERS PFIZER INC 2004-06-15 US disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus GIBSON STEPHEN PAUL (GB) 2003-01-02 US disclosed
EP-1072601-A2 4-arylpiperidine derivatives for the treatment of pruritus PFIZER INC. (US) 2001-01-31 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-20030004340-A1 New 4-arylpiperidine derivatives for the treatment of pruritus HRH2, HRH4, HRH1 KDM4E 3197/4885NPSR1 61/4885OPRL1 5/4885

“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.