SCHEMBL3115545

SCHEMBL3115545

ON1CCC(F)(c2cccc(F)c2Cl)C1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC4 P56524 3/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
ESR1 P03372 2/20 0.32
P2RX7 Q99572 2/20 0.31
RORC P51449 1/20 0.31
CYP2A13 Q16696 1/20 0.31
EPHX2 P34913 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
MAPK3 P27361 1/20 0.30
MAPK1 P28482 1/20 0.30
PTPN11 Q06124 1/20 0.30
CXCR2 P25025 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
SCHEMBL3124475 0.86 CNR2 (0.37) PDK2P2RX7PTPN11
SCHEMBL3124362 0.84 HDAC4 (0.41) PDK2HDAC4OPRM1OPRD1OPRK1
SCHEMBL3118697 0.82 BACE1 (0.34) PDK2HDAC4RORCCYP2A13HDAC6
SCHEMBL3115694 0.82 DRD4 (0.36) SLC6A4OPRM1OPRD1ESR1CYP2A13
SCHEMBL3111771 0.76 FASN (0.38) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL3116862 0.73 NPC1 (0.36) P2RX7HDAC6MAPK1PTPN11
SCHEMBL3122160 0.72 CNR1 (0.40) PDK2HDAC6
SCHEMBL3108387 0.71 GRM5 (0.45) PDK2SLC6A2SLC6A4SLC6A3
SCHEMBL3111649 0.70 SLC6A4 (0.42) SLC6A2SLC6A4SLC6A3HDAC6
SCHEMBL3120567 0.70 SLC6A3 (0.42) SLC6A2SLC6A4SLC6A3OPRL1

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 6 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
CN-101808987-A Dibasic Phenylpyrrolidine as cortex catecholamine energy neurotransmission conditioning agent NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-08-18 CN 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 PDK2 782/4885SLC6A2 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.