SCHEMBL2453289

SCHEMBL2453289

COC1(c2ccc(F)c(F)c2)CCN(C(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 6/20 0.39
SLC6A2 P23975 5/20 0.39
RORC P51449 1/20 0.38
CYP2D6 P10635 1/20 0.36
MC4R P32245 1/20 0.32
DRD2 P14416 1/20 0.32
TACR1 P25103 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CCR2 P41597 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL2452814 0.87 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL2423057 0.81 SLC6A4 (0.45) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL2452807 0.81 OPRM1 (0.39) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL2447923 0.81 DRD2 (0.37) SLC6A4SLC6A3SLC6A2CYP2D6DRD2
SCHEMBL19459022 0.80 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL2425362 0.78 DRD2 (0.38) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL2421701 0.78 SLC6A4 (0.39) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL3115638 0.77 RORC (0.41) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL27955335 0.77 SLC6A3 (0.44) OPRM1OPRD1OPRK1OPRL1SLC6A4
SCHEMBL2450730 0.76 DRD2 (0.42) SLC6A4SLC6A3SLC6A2DRD2

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
US-20110257242-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-10-20 US claimed
EP-2367788-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP claimed
WO-2010058019-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 WO claimed
US-20110257242-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-10-20 US disclosed
EP-2367788-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP disclosed
WO-2010058019-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 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-20110257242-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, COMT, SLC6A3 OPRM1 147/4885OPRD1 75/4885OPRK1 45/4885

“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.