SCHEMBL3122829

SCHEMBL3122829

CN1CCC(F)(c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 11/20 0.43
SLC6A4 P31645 10/20 0.43
SLC6A2 P23975 7/20 0.43
OPRM1 P35372 2/20 0.40
CYP2D6 P10635 3/20 0.36
KCNH2 Q12809 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL3118511 0.88 SLC6A4 (0.43) SLC6A3SLC6A4SLC6A2OPRM1CYP2D6
SCHEMBL3122249 0.88 OPRM1 (0.52) SLC6A3SLC6A4SLC6A2OPRM1CYP2D6
SCHEMBL3113113 0.86 SLC6A4 (0.48) SLC6A3SLC6A4SLC6A2OPRM1DRD4
SCHEMBL3120567 0.82 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2CYP2C19CYP3A4
SCHEMBL3122600 0.81 CCR1 (0.46) SLC6A3SLC6A4SLC6A2OPRM1DRD4
SCHEMBL17186726 0.77 CCR1 (0.50) SLC6A3SLC6A4SLC6A2OPRM1DRD4
SCHEMBL3123255 0.76 SLC6A4 (0.43) SLC6A3SLC6A4SLC6A2OPRM1KCNH2
SCHEMBL3115658 0.74 SLC6A2 (0.36) SLC6A3SLC6A4SLC6A2OPRM1DRD4
SCHEMBL3118374 0.74 OPRM1 (0.38) SLC6A3OPRM1CYP2C19CYP2C9DRD4
SCHEMBL16565154 0.73 OPRM1 (0.48) SLC6A3SLC6A4SLC6A2OPRM1

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 SLC6A3 6/4885SLC6A4 17/4885SLC6A2 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.