SCHEMBL6599402

SCHEMBL6599402

COc1cccc(C2(c3ccc(C(=O)NCC(F)(F)F)cc3)CCCN(Cc3ccccc3)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.48
CYP2D6 P10635 3/20 0.47
CYP3A4 P08684 2/20 0.47
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
KCNH2 Q12809 4/20 0.44
ACHE P22303 1/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CACNA1G O43497 1/20 0.42
CHRM4 P08173 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL6599092 0.86 LMNA (0.55) CYP2D6CYP3A4OPRD1OPRK1ALDH1A1
SCHEMBL6599265 0.81 OPRD1 (0.59) CYP2D6CYP3A4OPRD1OPRK1ALDH1A1
SCHEMBL6598136 0.81 SIGMAR1 (0.51) CYP2D6CYP3A4OPRD1OPRK1ALDH1A1
SCHEMBL6597019 0.81 SIGMAR1 (0.45) SLC6A9CYP2D6CYP3A4ALDH1A1TSHR
SCHEMBL6599143 0.80 OPRD1 (0.59) CYP2D6CYP3A4OPRD1OPRK1ACHE
SCHEMBL6171747 0.79 LMNA (0.52) CYP2D6OPRD1OPRK1KCNH2ALDH1A1
SCHEMBL6170025 0.78 LMNA (0.52) CYP2D6OPRD1OPRK1KCNH2ALDH1A1
SCHEMBL7830977 0.77 SIGMAR1 (0.46) CYP2D6CYP3A4ALDH1A1TSHRCYP1A2
SCHEMBL6598784 0.77 LMNA (0.49) CYP2D6CYP3A4OPRD1OPRK1ALDH1A1
SCHEMBL6167989 0.76 LMNA (0.63) CYP2D6OPRD1OPRK1KCNH2ALDH1A1

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 SLC6A9 2975/4885CYP2D6 19/4885CYP3A4 103/4885

“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.