SCHEMBL6598147

SCHEMBL6598147

COc1cccc(C2(c3ccc(-c4cccs4)cc3)CCCN(CC3CC3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.51
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
KDM2B Q8NHM5 7/20 0.43
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
OPRL1 P41146 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL6599819 0.78 OPRD1 (0.56) OPRM1OPRD1OPRK1KDM2BALDH1A1
SCHEMBL6598530 0.78 OPRM1 (0.52) OPRM1OPRD1OPRK1KDM2BDRD2
SCHEMBL6599544 0.77 OPRD1 (0.79) OPRM1OPRD1OPRK1KDM2B
SCHEMBL6598195 0.77 OPRD1 (0.63) OPRM1OPRD1OPRK1KDM2B
SCHEMBL6170440 0.76 SIGMAR1 (0.51) OPRK1ABL1BCRDRD2DRD4
SCHEMBL6600700 0.76 OPRD1 (0.54) OPRM1OPRD1OPRK1KDM2BALDH1A1
SCHEMBL6598973 0.73 OPRM1 (0.51) OPRM1OPRD1OPRK1KDM2BALDH1A1
SCHEMBL6599531 0.72 OPRD1 (0.56) OPRM1OPRD1OPRK1KDM2B
SCHEMBL11551982 0.70 SLC6A4 (0.62) OPRM1OPRD1OPRK1KDM2BSLC6A4
SCHEMBL6598934 0.70 OPRK1 (0.77) OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140835-B1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PROD INC (US) 2004-05-12 EP disclosed
US-20040063940-A1 3,3-Biarylpiperidine and 2,2-biarylmorpholine derivatives PFIZER INC 2004-04-01 US disclosed
US-6586431-B1 Treating drug abuse and drug dependence; nervous system and gastrointestinal disorders PFIZER INC 2003-07-01 US disclosed
US-6503905-B1 Treating nervous system and gastrointestinal disorders; analgesics, antiasthmatics PFIZER INC 2003-01-07 US disclosed
EP-1140835-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES Pfizer Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039091-A1 3,3-BIARYLPIPERIDINE AND 2,2-BIARYLMORPHOLINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2000-07-06 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-20040063940-A1 3,3-Biarylpiperidine and 2,2-biarylmorpholine derivatives BCHE, HTR3C, CHRM2 OPRM1 88/4885OPRD1 24/4885OPRK1 39/4885

“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.