SCHEMBL2425249

SCHEMBL2425249

CC(C)(C)C1N(C(=O)O)CCC1(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
SLC6A3 Q01959 6/20 0.39
DRD2 P14416 6/20 0.37
CNR2 P34972 4/20 0.37
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 3/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 2/20 0.34
MEN1 O00255 1/20 0.34
CACNA1F O60840 1/20 0.34
KCNK2 O95069 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
ADRB2 P07550 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL2430891 0.89 CCR2 (0.38) SLC6A3DRD2CNR2SLC6A4SLC6A2
SCHEMBL2422384 0.83 CCR1 (0.36) CCR1SLC6A3DRD2SLC6A4SLC6A2
SCHEMBL2425084 0.82 DRD2 (0.39) SLC6A3DRD2CNR2SLC6A4SLC6A2
SCHEMBL2427137 0.80 KMT2A (0.34) SLC6A3DRD2CNR2KMT2AALDH1A1
SCHEMBL2429044 0.77 DRD2 (0.39) DRD2CNR2CNR1PTGS2
SCHEMBL5454701 0.75 CNR2 (0.40) CNR2KMT2AALDH1A1MAPTCNR1
SCHEMBL16423136 0.74 SLC6A3 (0.41) CCR1SLC6A3DRD2SLC6A4KMT2A
SCHEMBL2426424 0.74 HDAC4 (0.39) CNR2OPRM1HDAC3HDAC1HDAC2
SCHEMBL16422376 0.73 SLC6A3 (0.37) CCR1SLC6A3KMT2AALDH1A1LMNA
SCHEMBL2425174 0.72 CCR2 (0.36) SLC6A3DRD2SLC6A4SLC6A2CYP3A4

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-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
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
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 CCR1 3241/4885SLC6A3 3/4885DRD2 16/4885
US-20110257242-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, COMT, SLC6A3 CCR1 3244/4885SLC6A3 3/4885DRD2 12/4885
US-20110257241-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, COMT, SLC6A3 CCR1 3159/4885SLC6A3 3/4885DRD2 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.