SCHEMBL6170069

SCHEMBL6170069

COc1cccc(C2(c3ccc(O)cc3)CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.57
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.52
HTT P42858 1/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL6598136 0.88 SIGMAR1 (0.51) SIGMAR1ALDH1A1L3MBTL1OPRD1OPRK1
SCHEMBL7820476 0.88 L3MBTL1 (0.54) SIGMAR1ALDH1A1L3MBTL1OPRD1OPRK1
SCHEMBL6171584 0.87 SIGMAR1 (0.53) SIGMAR1ALDH1A1L3MBTL1HTTOPRD1
SCHEMBL6167989 0.86 LMNA (0.63) SIGMAR1ALDH1A1L3MBTL1OPRD1OPRK1
SCHEMBL6171225 0.86 SIGMAR1 (0.54) SIGMAR1ALDH1A1L3MBTL1OPRD1OPRK1
SCHEMBL6171747 0.85 LMNA (0.52) SIGMAR1ALDH1A1L3MBTL1OPRD1OPRK1
SCHEMBL6170025 0.84 LMNA (0.52) SIGMAR1ALDH1A1L3MBTL1OPRD1OPRK1
SCHEMBL6170440 0.83 SIGMAR1 (0.51) SIGMAR1ALDH1A1L3MBTL1OPRK1LMNA
SCHEMBL6173909 0.83 OPRD1 (0.64) L3MBTL1OPRD1OPRK1OPRM1
SCHEMBL6168151 0.82 SIGMAR1 (0.50) SIGMAR1ALDH1A1L3MBTL1OPRD1OPRK1

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-1112255-B1 4,4-BIARYLPIPERIDINE DERIVATIVES WITH OPIOID RECEPTOR ACTIVITY PFIZER PROD INC (US) 2005-12-14 EP disclosed
US-20040138220-A1 4,4-Biarylpiperidine derivatives PFIZER, INC. 2004-07-15 US disclosed
US-6720336-B2 USED AS LIGANDS FOR OPIOID RECEPTORS, FOR THERAPY OF NEUROLOGICAL AND GASTROINTESTINAL DISORDERS PFIZER, INC. 2004-04-13 US disclosed
US-20020013321-A1 4,4-Biarylpiperidine derivatives PFIZER INC. 2002-01-31 US disclosed
EP-1112255-A1 4,4-BIARYLPIPERIDINE DERIVATIVES WITH OPIOID RECEPTOR ACTIVITY Pfizer Products Inc. (US) 2001-07-04 EP disclosed
WO-2000014066-A1 4,4-BIARYLPIPERIDINE DERIVATIVES WITH OPIOID RECEPTOR ACTIVITY PFIZER PRODUCTS INC. (US) 2000-03-16 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 (2 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-20040138220-A1 4,4-Biarylpiperidine derivatives CYP4B1, CYP3A5, CYP3A4 SIGMAR1 365/4885ALDH1A1 178/4885L3MBTL1 2507/4885
US-20020013321-A1 4,4-Biarylpiperidine derivatives CYP4B1, CYP3A5, CYP3A4 SIGMAR1 365/4885ALDH1A1 178/4885L3MBTL1 2507/4885

“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.