SCHEMBL2528384

SCHEMBL2528384

COC1(c2cccc(F)c2F)CCN(C(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.40
EPHX2 P34913 2/20 0.39
HPGD P15428 2/20 0.37
SOS1 Q07889 1/20 0.37
SCD5 Q86SK9 1/20 0.36
SPR P35270 1/20 0.36
CYP2C19 P33261 4/20 0.35
CYP3A4 P08684 3/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 3/20 0.34
CYP2C9 P11712 2/20 0.34
HIF1A Q16665 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2D6 P10635 2/20 0.33
RORC P51449 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
SCHEMBL2449023 0.89 HDAC4 (0.40) HDAC4EPHX2HPGDALDH1A1SMN1; SMN2
SCHEMBL2530292 0.88 SOS1 (0.36) EPHX2SOS1SCD5SPRCYP2C19
SCHEMBL2424588 0.84 GPR119 (0.43) SCD5RORCHDAC1HDAC2HDAC6
SCHEMBL30149944 0.84 GPR119 (0.43) SCD5RORCHDAC1HDAC2HDAC6
SCHEMBL28355845 0.81 HDAC4 (0.39) HDAC4EPHX2HPGDSOS1SPR
SCHEMBL28883049 0.79 HDAC4 (0.38) HDAC4EPHX2HPGDSOS1HDAC3
SCHEMBL21626086 0.79 HDAC4 (0.35) HDAC4EPHX2HDAC3HDAC1HDAC2
SCHEMBL2534962 0.79 HDAC4 (0.43) HDAC4HPGDSPRHDAC3HDAC1
SCHEMBL23706066 0.76 SCD5 (0.52) SCD5CYP2C19CYP3A4HSD17B10USP2
SCHEMBL2421837 0.76 OPRM1 (0.36) HDAC4ALDH1A1

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-3625213-A1 (+)-3-(2,3-DIFLUOROPHENYL)-3-METHOXYPYRROLIDINE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR PREPARATION THEREOF AND USES THEREOF Integrative Research Laboratories Sweden AB (SE) 2020-03-25 EP disclosed
WO-2018211080-A1 (+)-3-(2,3-DIFLUOROPHENYL)-3-METHOXYPYRROLIDINE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR PREPARATION THEREOF AND USES THEREOF INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2018-11-22 WO disclosed
US-8673962-B2 3-phenyl-3-methoxypyrrolidine derivatives as modulators of cortical catecholaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2014-03-18 US disclosed
EP-2367787-B1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2013-01-09 EP disclosed
US-20110257241-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-10-20 US disclosed
US-20110257242-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-10-20 US 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 (2 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-20110257242-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, COMT, SLC6A3 HDAC4 4057/4885EPHX2 1257/4885HPGD 1149/4885
US-20110257241-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, COMT, SLC6A3 HDAC4 3855/4885EPHX2 1244/4885HPGD 1020/4885

“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.