SCHEMBL6167989

SCHEMBL6167989

COC(=O)c1ccc(C2(c3cccc(OC)c3)CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
CYP2D6 P10635 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPFFR1 Q9GZQ6 1/20 0.51
NPFFR2 Q9Y5X5 1/20 0.51
MAPT P10636 3/20 0.50
OPRD1 P41143 2/20 0.50
OPRK1 P41145 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RECQL P46063 1/20 0.50
OPRM1 P35372 1/20 0.50
FAAH O00519 1/20 0.49
KCNH2 Q12809 1/20 0.49
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL7820476 0.92 L3MBTL1 (0.54) LMNAL3MBTL1SIGMAR1ALDH1A1TSHR
SCHEMBL6171747 0.91 LMNA (0.52) LMNAL3MBTL1SIGMAR1ALDH1A1TSHR
SCHEMBL6170025 0.90 LMNA (0.52) LMNAL3MBTL1SIGMAR1ALDH1A1TSHR
SCHEMBL6599092 0.89 LMNA (0.55) LMNAL3MBTL1SIGMAR1ALDH1A1TSHR
SCHEMBL6173909 0.86 OPRD1 (0.64) L3MBTL1OPRD1OPRK1OPRM1
SCHEMBL7671714 0.86 LMNA (0.55) LMNAL3MBTL1SIGMAR1ALDH1A1TSHR
SCHEMBL6170069 0.86 SIGMAR1 (0.57) LMNAL3MBTL1SIGMAR1ALDH1A1TSHR
SCHEMBL6170328 0.85 OPRD1 (0.54) LMNAL3MBTL1SIGMAR1ALDH1A1TSHR
SCHEMBL6170432 0.83 GAA (0.55) LMNAL3MBTL1SIGMAR1ALDH1A1TSHR
SCHEMBL6171584 0.82 SIGMAR1 (0.53) L3MBTL1SIGMAR1ALDH1A1KMT2AOPRD1

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 LMNA 3744/4885L3MBTL1 2507/4885SIGMAR1 365/4885
US-20020013321-A1 4,4-Biarylpiperidine derivatives CYP4B1, CYP3A5, CYP3A4 LMNA 3744/4885L3MBTL1 2507/4885SIGMAR1 365/4885

“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.