SCHEMBL2534867

SCHEMBL2534867

COC1(c2ccc(F)c(F)c2)CCN(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.39
RORC P51449 7/20 0.38
DRD2 P14416 1/20 0.37
CCR2 P41597 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL2526910 0.89 DRD2 (0.40) SCD5DRD2MEN1KMT2ASLC6A2
SCHEMBL2425172 0.84 RORC (0.48) SCD5RORC
SCHEMBL2532421 0.82 SCD5 (0.39) SCD5RORCDRD2USP2CYP3A4
SCHEMBL23706066 0.80 SCD5 (0.52) SCD5MEN1KMT2AUSP2CYP3A4
SCHEMBL2532028 0.80 DRD2 (0.38) SCD5DRD2USP2CYP3A4CYP2C19
SCHEMBL2423057 0.79 SLC6A4 (0.45) DRD2MEN1KMT2ASLC6A2SLC6A4
SCHEMBL2531562 0.78 DRD2 (0.41) RORCDRD2CCR2MEN1KMT2A
SCHEMBL2453289 0.76 OPRM1 (0.40) RORCDRD2CCR2SLC6A2SLC6A4
SCHEMBL2421701 0.76 SLC6A4 (0.39) DRD2CCR2SLC6A2SLC6A4SLC6A3
SCHEMBL2425362 0.76 DRD2 (0.38) DRD2SLC6A2SLC6A4SLC6A3ADRA1D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SCD5 3094/4885RORC 2642/4885DRD2 12/4885
US-20110257241-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, COMT, SLC6A3 SCD5 3047/4885RORC 2660/4885DRD2 14/4885

“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.