SCHEMBL3115996

SCHEMBL3115996

CN1CCC(F)(c2ccc(Cl)cc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRM1 P35372 2/20 0.34
FASN P49327 1/20 0.33
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
OPRL1 P41146 1/20 0.33
POLB P06746 1/20 0.33
DRD4 P21917 1/20 0.33
GRM5 P41594 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NOTUM Q6P988 1/20 0.32
SLC6A9 P48067 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
SCHEMBL3116585 0.86 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4OPRM1POLB
SCHEMBL3119906 0.84 BACE1 (0.38) OPRM1DRD4ALDH1A1
SCHEMBL3111771 0.82 FASN (0.38) SLC6A3SLC6A2SLC6A4FASNGRM5
SCHEMBL3114108 0.81 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4FASNPROKR1
SCHEMBL3117618 0.79 P2RX7 (0.36) SLC6A3SLC6A2SLC6A4OPRM1DRD4
SCHEMBL3115694 0.76 DRD4 (0.36) SLC6A4OPRM1DRD4ALDH1A1
SCHEMBL3118511 0.76 SLC6A4 (0.43) SLC6A3SLC6A2SLC6A4OPRM1DRD4
SCHEMBL11092491 0.75 OPRM1 (0.60) OPRM1POLBDRD4
SCHEMBL3113113 0.73 SLC6A4 (0.48) SLC6A3SLC6A2SLC6A4OPRM1DRD4
SCHEMBL3122829 0.73 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4OPRM1DRD4

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 6/4885SLC6A2 3/4885SLC6A4 17/4885

“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.