SCHEMBL3384864

SCHEMBL3384864

O=C(O)N1CCC(O)(c2ccc(F)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
MC4R P32245 1/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
CYP3A4 P08684 3/20 0.40
S1PR2 O95136 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
USP2 O75604 2/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
DRD2 P14416 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL23291510 0.85 S1PR2 (0.41) CNR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL5380205 0.82 DRD2 (0.49) MC4ROPRM1OPRD1OPRK1OPRL1
SCHEMBL3593437 0.81 CNR1 (0.44) CNR1CYP2C19HCAR3HCAR2MEN1
SCHEMBL9697435 0.80 BACE1 (0.41) CNR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL1513609 0.80 HDAC2 (0.45) CNR1MC4RS1PR2MEN1KMT2A
SCHEMBL16838121 0.80 MAPK1 (0.43) CNR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL4725181 0.78 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL3387388 0.77 MC4R (0.40) CNR1MC4ROPRM1OPRK1OPRL1
SCHEMBL17186960 0.77 HDAC4 (0.41) CNR1OPRM1OPRD1OPRK1OPRL1
SCHEMBL17187006 0.77 TRPA1 (0.41) CNR1OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963268-B1 DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-01 EP disclosed
US-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-10-30 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-20080269286-A1 Disubstituted Phenylpiperidines as Modulators of Cortical Catecholaminergic Neurotransmission SLC6A2, SLC18A2, PNMT CNR1 36/4885MC4R 218/4885OPRM1 72/4885

“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.