SCHEMBL6170440

SCHEMBL6170440

COc1cccc(C2(c3ccc(-c4cccs4)cc3)CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.51
ALDH1A1 P00352 3/20 0.51
MMP1 P03956 1/20 0.49
MMP9 P14780 1/20 0.49
MMP13 P45452 1/20 0.49
ADAM17 P78536 1/20 0.49
DRD4 P21917 3/20 0.47
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TMEM97 Q5BJF2 3/20 0.45
HTR1A P08908 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ADRA2A P08913 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
SCHEMBL6171353 0.85 OPRM1 (0.48) SIGMAR1ALDH1A1DRD4DRD2HTR2A
SCHEMBL6170069 0.83 SIGMAR1 (0.57) SIGMAR1ALDH1A1L3MBTL1LMNAOPRK1
SCHEMBL6171225 0.81 SIGMAR1 (0.54) SIGMAR1ALDH1A1L3MBTL1OPRK1
SCHEMBL7820476 0.81 L3MBTL1 (0.54) SIGMAR1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL6171584 0.80 SIGMAR1 (0.53) SIGMAR1ALDH1A1L3MBTL1OPRK1CHRM2
SCHEMBL6169287 0.79 SIGMAR1 (0.50) SIGMAR1ALDH1A1DRD4L3MBTL1LMNA
SCHEMBL6167989 0.79 LMNA (0.63) SIGMAR1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL6169096 0.78 ALDH1A1 (0.47) SIGMAR1ALDH1A1DRD4DRD2L3MBTL1
SCHEMBL6171747 0.78 LMNA (0.52) SIGMAR1ALDH1A1DRD4L3MBTL1LMNA
SCHEMBL6170025 0.77 LMNA (0.52) SIGMAR1ALDH1A1DRD4L3MBTL1LMNA

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 178/4885MMP1 4643/4885
US-20020013321-A1 4,4-Biarylpiperidine derivatives CYP4B1, CYP3A5, CYP3A4 SIGMAR1 365/4885ALDH1A1 178/4885MMP1 4643/4885

“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.