SCHEMBL6598136

SCHEMBL6598136

COc1cccc(C2(c3ccc(O)cc3)CCCN(Cc3ccccc3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.51
ALDH1A1 P00352 5/20 0.48
CYP2D6 P10635 4/20 0.47
CYP3A4 P08684 3/20 0.47
TMEM97 Q5BJF2 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 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
SCHEMBL14420464 0.90 CYP2D6 (0.56) SIGMAR1ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL6170069 0.88 SIGMAR1 (0.57) SIGMAR1ALDH1A1CYP2D6L3MBTL1KDM4E
SCHEMBL6599092 0.87 LMNA (0.55) SIGMAR1ALDH1A1CYP2D6CYP3A4L3MBTL1
SCHEMBL7830977 0.85 SIGMAR1 (0.46) SIGMAR1ALDH1A1CYP2D6CYP3A4TMEM97
SCHEMBL4272060 0.84 SIGMAR1 (0.60) SIGMAR1ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL6599265 0.84 OPRD1 (0.59) ALDH1A1CYP2D6CYP3A4TSHROPRM1
SCHEMBL6597019 0.83 SIGMAR1 (0.45) SIGMAR1ALDH1A1CYP2D6CYP3A4TMEM97
SCHEMBL6599143 0.83 OPRD1 (0.59) SIGMAR1ALDH1A1CYP2D6CYP3A4L3MBTL1
SCHEMBL3081018 0.82 ALDH1A1 (0.60) SIGMAR1ALDH1A1CYP2D6CYP3A4TMEM97
Hydrochloric Acid SCHEMBL11194779 0.81 ALDH1A1 (0.59) SIGMAR1ALDH1A1CYP2D6CYP3A4TMEM97

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 SIGMAR1 221/4885ALDH1A1 893/4885CYP2D6 19/4885

“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.