SCHEMBL6598973

SCHEMBL6598973

COc1cccc(C2(c3ccc(C(=O)N4CCc5ccccc5C4)cc3)CCCN(CC3CC3)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.51
OPRD1 P41143 3/20 0.51
OPRK1 P41145 3/20 0.51
KDM2B Q8NHM5 7/20 0.49
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
PDE4B Q07343 1/20 0.44
THRB P10828 1/20 0.44
PRMT5 O14744 3/20 0.43
WDR77 Q9BQA1 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 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
SCHEMBL6599819 0.87 OPRD1 (0.56) OPRM1OPRD1OPRK1KDM2BHPGD
SCHEMBL6600700 0.85 OPRD1 (0.54) OPRM1OPRD1OPRK1KDM2BHPGD
SCHEMBL6599544 0.80 OPRD1 (0.79) OPRM1OPRD1OPRK1KDM2B
SCHEMBL6598195 0.80 OPRD1 (0.63) OPRM1OPRD1OPRK1KDM2BKMT2A
SCHEMBL6598465 0.75 OPRD1 (0.70) OPRM1OPRD1OPRK1
SCHEMBL6598530 0.74 OPRM1 (0.52) OPRM1OPRD1OPRK1KDM2B
SCHEMBL6598147 0.73 OPRM1 (0.51) OPRM1OPRD1OPRK1KDM2BLMNA
SCHEMBL13911859 0.72 PDE4B (0.58) HPGDKMT2ALMNAMAPTPDE4B
SCHEMBL6599531 0.71 OPRD1 (0.56) OPRM1OPRD1OPRK1KDM2BKMT2A
SCHEMBL30260147 0.71 HPGD (0.69) HPGDKMT2ALMNAMAPTPDE4B

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.