SCHEMBL3109586

SCHEMBL3109586

CCCCN1CCC(O)(c2cc(F)cc(F)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 13/20 0.46
DRD3 P35462 5/20 0.46
HTR1A P08908 4/20 0.46
HTR2A P28223 4/20 0.46
HRH1 P35367 4/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD4 P21917 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 2/20 0.43
S1PR4 O95977 1/20 0.43
DRD1 P21728 3/20 0.41
DRD5 P21918 3/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41

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
SCHEMBL3109356 0.91 DRD2 (0.44) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL3118626 0.91 DRD2 (0.50) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL2461191 0.88 DRD2 (0.36) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL3108383 0.85 DRD2 (0.39) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL3111256 0.83 DRD2 (0.49) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL3114214 0.82 DRD2 (0.48) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL3113655 0.82 DRD2 (0.48) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL3116320 0.82 DRD2 (0.40) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL3118433 0.79 DRD2 (0.48) DRD2DRD3HTR1AHTR2AHRH1
SCHEMBL3120553 0.79 DRD2 (0.51) DRD2DRD3HTR1AHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155671-B1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2017-12-20 EP claimed
US-8188301-B2 Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-05-29 US claimed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US claimed
EP-2155671-B1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2017-12-20 EP disclosed
US-8188301-B2 Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-05-29 US disclosed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US disclosed
EP-2155671-A2 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP disclosed
WO-2008148801-A2 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL OF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-12-11 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-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, DBH, SLC6A2 DRD2 9/4885DRD3 24/4885HTR1A 94/4885

“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.