SCHEMBL3118331

SCHEMBL3118331

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.41
DRD3 P35462 5/20 0.41
DRD4 P21917 2/20 0.37
OPRM1 P35372 1/20 0.37
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
BCL2A1 Q16548 1/20 0.33
CYP2A13 Q16696 2/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL3115694 0.86 DRD4 (0.36) DRD2DRD3DRD4OPRM1CYP2A13
SCHEMBL3122708 0.86 BACE1 (0.39) DRD2DRD3DRD4OPRM1ADRA2A
SCHEMBL3124475 0.81 CNR2 (0.37) DRD2DRD3DRD4CNR2LMNA
SCHEMBL3121760 0.78 DRD2 (0.46) DRD2DRD3DRD4OPRM1ADRA2A
SCHEMBL3123058 0.76 HDAC4 (0.38) DRD4OPRM1HPGD
SCHEMBL3116585 0.75 SLC6A3 (0.47) DRD2OPRM1LMNAALDH1A1
SCHEMBL3117618 0.74 P2RX7 (0.36) DRD2DRD4OPRM1NPC1ALDH1A1
SCHEMBL3115996 0.71 SLC6A3 (0.37) DRD4OPRM1ALDH1A1
SCHEMBL3122249 0.70 OPRM1 (0.52) OPRM1CYP2D6
SCHEMBL3109408 0.70 DRD2 (0.40) DRD2DRD3DRD4OPRM1ADRA2A

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 DRD2 9/4885DRD3 24/4885DRD4 28/4885

“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.