SCHEMBL3115694

SCHEMBL3115694

CN1CCC(F)(c2cccc(F)c2Cl)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.36
OPRM1 P35372 1/20 0.36
CYP2A13 Q16696 1/20 0.33
TACR1 P25103 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
CXCR2 P25025 2/20 0.33
ESR1 P03372 2/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
MC4R P32245 1/20 0.31
OPRD1 P41143 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL3118331 0.86 DRD2 (0.41) DRD4OPRM1CYP2A13DRD2DRD3
SCHEMBL3123058 0.84 HDAC4 (0.38) DRD4OPRM1MC4ROPRD1MAPK1
SCHEMBL3115545 0.82 PDK2 (0.33) OPRM1CYP2A13SLC6A4CXCR2ESR1
SCHEMBL3122708 0.82 BACE1 (0.39) DRD4OPRM1CYP2A13KCNH2DRD2
SCHEMBL3118703 0.81 DRD2 (0.40) DRD4OPRM1SLC6A4CXCR2DRD2
SCHEMBL3115996 0.76 SLC6A3 (0.37) DRD4OPRM1SLC6A4ALDH1A1
SCHEMBL3117618 0.73 P2RX7 (0.36) DRD4OPRM1SLC6A4DRD2ALDH1A1
SCHEMBL3119906 0.72 BACE1 (0.38) DRD4OPRM1KCNH2DRD2MC4R
SCHEMBL3116585 0.71 SLC6A3 (0.47) OPRM1SLC6A4DRD2ALDH1A1
SCHEMBL3122829 0.70 SLC6A3 (0.43) DRD4OPRM1SLC6A4KCNH2

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 DRD4 28/4885OPRM1 364/4885CYP2A13 2700/4885

“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.