SCHEMBL6170432

SCHEMBL6170432

COc1cccc(C2(c3ccc(C(=O)NNC(=O)C4CCC4)cc3)CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
ACKR3 P25106 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
CHRM4 P08173 1/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DRD4 P21917 1/20 0.45
MCHR1 Q99705 1/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.44
RECQL P46063 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL6171747 0.86 LMNA (0.52) SIGMAR1TSHRCYP2D6KDM4EMAPT
SCHEMBL6170025 0.85 LMNA (0.52) SIGMAR1TSHRCYP2D6KDM4EMAPT
SCHEMBL7820476 0.85 L3MBTL1 (0.54) SIGMAR1TSHRCYP2D6KDM4EMAPT
SCHEMBL6167989 0.83 LMNA (0.63) SIGMAR1TSHRCYP2D6KDM4EMAPT
SCHEMBL6170069 0.80 SIGMAR1 (0.57) SIGMAR1TSHRCYP2D6KDM4ELMNA
SCHEMBL6173909 0.78 OPRD1 (0.64) L3MBTL1
SCHEMBL6170328 0.77 OPRD1 (0.54) SIGMAR1TSHRCYP2D6KDM4EMAPT
SCHEMBL6171584 0.76 SIGMAR1 (0.53) SIGMAR1ALDH1A1KMT2AL3MBTL1ACHE
SCHEMBL6599092 0.75 LMNA (0.55) SIGMAR1TSHRCYP2D6KDM4EMAPT
SCHEMBL7665850 0.74 ALDH1A1 (0.53) SIGMAR1TSHRCYP2D6KDM4EMAPT

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 GAA 676/4885ACKR3 3088/4885SIGMAR1 365/4885
US-20020013321-A1 4,4-Biarylpiperidine derivatives CYP4B1, CYP3A5, CYP3A4 GAA 676/4885ACKR3 3088/4885SIGMAR1 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.