SCHEMBL3118697

SCHEMBL3118697

ON1CCC(F)(c2cccc(Cl)c2F)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.34
PDK2 Q15119 2/20 0.33
HDAC4 P56524 1/20 0.32
CNR2 P34972 1/20 0.32
DRD2 P14416 3/20 0.31
RORC P51449 1/20 0.31
PTPN11 Q06124 1/20 0.31
CYP2A13 Q16696 1/20 0.31
HTR2C P28335 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
NOTUM Q6P988 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) PDK2CNR2DRD2PTPN11
SCHEMBL3124362 0.84 HDAC4 (0.41) PDK2HDAC4CNR2HDAC6
SCHEMBL3115545 0.82 PDK2 (0.33) PDK2HDAC4RORCPTPN11CYP2A13
SCHEMBL3122708 0.82 BACE1 (0.39) BACE1DRD2PTPN11CYP2A13
SCHEMBL3116862 0.76 NPC1 (0.36) DRD2PTPN11HDAC6
SCHEMBL3108387 0.74 GRM5 (0.45) PDK2DRD2NOTUM
SCHEMBL3111771 0.73 FASN (0.38) PDK2DRD2NOTUM
SCHEMBL3120567 0.70 SLC6A3 (0.42) DRD2
SCHEMBL3111649 0.70 SLC6A4 (0.42) HDAC6
SCHEMBL22904614 0.70 BACE1 (0.40) BACE1PDK2HDAC4DRD2HDAC6

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 BACE1 1438/4885PDK2 782/4885HDAC4 3574/4885

“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.