SCHEMBL2450784

SCHEMBL2450784

CCCN1CCC(OC)(c2cc(F)cc(F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.39
ALOX5 P09917 10/20 0.34
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32

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
SCHEMBL2420731 0.88 DRD2 (0.36) DRD2ALOX5
SCHEMBL2454410 0.83 DRD2 (0.43) DRD2DRD4DRD3
SCHEMBL2450730 0.82 DRD2 (0.42) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL9183641 0.82 OPRM1 (0.38) DRD2ALOX5
SCHEMBL9185926 0.82 OPRD1 (0.35) DRD2ALOX5
Hydrochloric Acid SCHEMBL9184010 0.81 OPRD1 (0.37) DRD2ALOX5
SCHEMBL2428672 0.80 OPRM1 (0.35) DRD2ALOX5DRD4
SCHEMBL2426214 0.80 DRD2 (0.39) DRD2ALOX5DRD4DRD3
SCHEMBL2420624 0.79 SIGMAR1 (0.43)
SCHEMBL3109356 0.77 DRD2 (0.44) DRD2DRD4DRD3

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
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 claimed
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 claimed
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 claimed
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-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

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-20110257242-A1 3-PHENYL-3-METHOXYPYRROLIDINE DERIVATIVES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, COMT, SLC6A3 DRD2 12/4885ALOX5 2220/4885DRD4 30/4885

“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.