SCHEMBL3247358

SCHEMBL3247358

C[C@H](c1ccccc1)N1CCC(O)CC1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.40
▸ OPRM1 P35372 4/20 0.40
▸ OPRD1 P41143 3/20 0.40
▸ OPRK1 P41145 3/20 0.40
▸ OPRL1 P41146 2/20 0.40
▸ KCNA3 P22001 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MC4R P32245 1/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ CHRM2 P08172 3/20 0.36
▸ CHRM4 P08173 3/20 0.36
▸ CHRM5 P08912 3/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CHRM3 P20309 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL3247360 1.00 CYP2D6 (0.40) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL13921344 0.83 OPRK1 (0.42) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL16975543 0.80 OPRM1 (0.47) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL18387503 0.80 OPRM1 (0.47) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL14671739 0.80 CYP2D6 (0.44) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL10259588 0.80 CYP2D6 (0.44) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL14671754 0.80 CYP2D6 (0.44) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL23532892 0.76 KMT2A (0.42) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL23533055 0.76 KMT2A (0.42) CYP2D6OPRM1OPRD1OPRK1OPRL1
SCHEMBL23532889 0.76 KMT2A (0.42) CYP2D6OPRM1OPRD1OPRK1OPRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 — — EP disclosed
US-7312212-B2 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2007-12-25 — — US disclosed
US-20050159411-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2005-07-21 — — US 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-20050159411-A1 Aminopiperidine derivatives AMPD2, AMPD3, NPEPPS CYP2D6 850/4885OPRM1 312/4885OPRD1 43/4885

“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.

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