SCHEMBL3107459

SCHEMBL3107459

OC1(c2ccc(F)c(F)c2)CCNC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
SLC6A3 Q01959 6/20 0.42
SLC6A2 P23975 5/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42
CHRNB1 P11230 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRND Q07001 1/20 0.42
SLC6A4 P31645 5/20 0.39
REN P00797 10/20 0.38
KCNH2 Q12809 9/20 0.38
CYP3A4 P08684 8/20 0.38
HTR2A P28223 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33

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
SCHEMBL533971 0.89 DRD2 (0.59) DRD2SLC6A3SLC6A2CHRNA1CHRNG
Hydrochloric Acid SCHEMBL22616883 0.88 DRD2 (0.58) DRD2SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL1331202 0.85 SLC6A3 (0.46) DRD2SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL3116674 0.85 DRD2 (0.51) DRD2SLC6A3SLC6A2SLC6A4
SCHEMBL3976019 0.85 DRD2 (0.44) DRD2SLC6A3SLC6A2CHRNA1CHRNG
Hydrochloric Acid SCHEMBL3548209 0.84 DRD2 (0.42) DRD2SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL3549471 0.80 DRD2 (0.52) DRD2SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL23215170 0.79 SLC6A3 (0.47) DRD2SLC6A3SLC6A2CHRNA1CHRNG
Hydrochloric Acid SCHEMBL2276550 0.79 DRD2 (0.50) DRD2SLC6A3SLC6A2CHRNA1CHRNG
SCHEMBL3125944 0.77 SLC6A3 (0.40) DRD2SLC6A3SLC6A2CHRNA1CHRNG

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 9/4885SLC6A3 6/4885SLC6A2 3/4885

“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.