SCHEMBL2428683

SCHEMBL2428683

COC1(c2cc(F)cc(F)c2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC1 Q13547 1/20 0.41
USP30 Q70CQ3 2/20 0.40
SCD5 Q86SK9 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TACR1 P25103 1/20 0.39
CYP11B2 P19099 1/20 0.38
ACACB O00763 2/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL2423294 0.92 RORC (0.41) RORCHDAC2HDAC1USP30SCD5
SCHEMBL2425172 0.84 RORC (0.48) RORCHDAC2HDAC1USP30SCD5
SCHEMBL2532421 0.83 SCD5 (0.39) RORCUSP30SCD5
SCHEMBL25171198 0.82 TSHR (0.50) RORCUSP30SCD5TACR1CYP11B2
SCHEMBL9186072 0.82 ESR1 (0.36) RORCSCD5
SCHEMBL2427136 0.82 RORC (0.44) RORCHDAC2HDAC1USP30SCD5
SCHEMBL2422382 0.82 RORC (0.44) RORCHDAC2HDAC1USP30SCD5
SCHEMBL3264110 0.80 RORC (0.49) RORCHDAC2HDAC1JAK2JAK1
SCHEMBL3387610 0.79 HDAC2 (0.43) RORCHDAC2HDAC1JAK2JAK1
SCHEMBL20743058 0.76 RORC (0.47) RORCHDAC2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9035073-B2 3-phenyl-3-methoxy-pyrrolidine derivatives useful as modulators of cortical catecholaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2015-05-19 US disclosed
US-20140135505-A1 3-PHENYL-3-METHOXY-PYRROLIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2014-05-15 US 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
EP-2367787-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP disclosed
EP-2367788-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-09-28 EP disclosed
WO-2010058019-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 WO disclosed
WO-2010058018-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-05-27 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 (3 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-20140135505-A1 3-PHENYL-3-METHOXY-PYRROLIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, COMT, SLC6A3 RORC 2813/4885HDAC2 4426/4885HDAC1 4664/4885
US-20110257242-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, COMT, SLC6A3 RORC 2642/4885HDAC2 4426/4885HDAC1 4768/4885
US-20110257241-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, COMT, SLC6A3 RORC 2660/4885HDAC2 4273/4885HDAC1 4674/4885

“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.