SCHEMBL3111159

SCHEMBL3111159

OC1(c2cccc(F)c2F)CCN(Cc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.54
POLB P06746 1/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CCR3 P51677 1/20 0.49
GAA P10253 1/20 0.47
SIGMAR1 Q99720 3/20 0.44
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL3111020 0.88 OPRL1 (0.52) OPRL1POLBKMT2AKDM4ECCR3
SCHEMBL3114767 0.83 GAA (0.45) OPRL1KMT2AGAASIGMAR1ALDH1A1
SCHEMBL3115698 0.82 DRD2 (0.39) OPRL1KMT2AKDM4EGAASIGMAR1
SCHEMBL6042326 0.82 OPRL1 (0.66) OPRL1POLBKMT2ACCR3SIGMAR1
SCHEMBL1822721 0.81 KMT2A (0.54) OPRL1POLBKMT2AKDM4ECCR3
SCHEMBL3109367 0.80 DRD2 (0.42) OPRL1KMT2AGAASIGMAR1ALDH1A1
SCHEMBL3113243 0.79 SIGMAR1 (0.40) OPRL1KMT2AGAASIGMAR1ALDH1A1
SCHEMBL3119581 0.79 OPRM1 (0.45) OPRL1SIGMAR1
SCHEMBL3109230 0.79 CYP2D6 (0.41) OPRL1KMT2AKDM4EALDH1A1USP2
SCHEMBL21626110 0.79 SIGMAR1 (0.42) GAASIGMAR1ALDH1A1CYP3A4TP53

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 5 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-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US disclosed
EP-2155671-A2 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP 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 34/4885POLB 3997/4885KMT2A 2547/4885

“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.