SCHEMBL8086617

SCHEMBL8086617

OC1(c2cccc(C(F)(F)F)c2)CCNC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.50
OPRM1 P35372 7/20 0.48
OPRK1 P41145 3/20 0.47
OPRD1 P41143 3/20 0.46
KDM1A O60341 2/20 0.45
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A4 P31645 1/20 0.44
TACR1 P25103 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL31322451 0.91 OPRL1 (0.56) OPRL1OPRM1OPRK1OPRD1KDM1A
SCHEMBL186127 0.91 OPRL1 (0.56) OPRL1OPRM1OPRK1OPRD1KDM1A
Hydrochloric Acid SCHEMBL11441762 0.90 OPRL1 (0.47) OPRL1OPRM1OPRK1OPRD1KDM1A
Hydrochloric Acid SCHEMBL4818869 0.89 OPRL1 (0.54) OPRL1OPRM1OPRK1OPRD1DRD2
Hydrochloric Acid SCHEMBL23411250 0.88 OPRL1 (0.53) OPRL1OPRM1OPRK1OPRD1DRD2
SCHEMBL15689691 0.87 OPRL1 (0.51) OPRL1OPRM1OPRK1OPRD1KDM1A
SCHEMBL31557722 0.82 OPRL1 (0.62) OPRL1OPRM1OPRK1OPRD1KDM1A
SCHEMBL1814719 0.81 DRD2 (0.47) OPRL1OPRM1OPRK1OPRD1KDM1A
SCHEMBL30227020 0.79 OPRL1 (0.59) OPRL1OPRM1OPRK1OPRD1KDM1A
SCHEMBL26706222 0.79 OPRL1 (0.59) OPRL1OPRM1OPRK1OPRD1KDM1A

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-2155671-B1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2017-12-20 EP disclosed
US-8188301-B2 Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-05-29 US disclosed
US-8188301-B2 Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-05-29 US disclosed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US disclosed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US disclosed
WO-2008148801-A2 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL OF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-12-11 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-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, DBH, SLC6A2 OPRL1 34/4885OPRM1 364/4885OPRK1 82/4885

“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.