SCHEMBL3123786

SCHEMBL3123786

CCN1CCC(O)(c2ccc(Cl)cc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.42
HTR1A P08908 3/20 0.39
HTR2A P28223 3/20 0.39
HRH1 P35367 3/20 0.39
DRD3 P35462 3/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SSTR5 P35346 1/20 0.38
CCR3 P51677 1/20 0.38
DRD1 P21728 2/20 0.38
DRD5 P21918 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
HTR7 P34969 2/20 0.38
HTR2B P41595 2/20 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
SCHEMBL3111876 0.90 DRD2 (0.45) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3117499 0.87 DRD2 (0.47) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3111241 0.86 DRD2 (0.49) DRD2CCR3SLC6A2SLC6A4MAP3K14
SCHEMBL3124221 0.86 MC4R (0.40) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3111224 0.86 DRD2 (0.40) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3116252 0.84 DRD2 (0.41) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3114087 0.83 DRD2 (0.40) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3114108 0.82 SLC6A3 (0.40) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3119785 0.81 DRD2 (0.47) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3115739 0.78 KDM4E (0.44) DRD2HTR1AHTR2AHRH1DRD3

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
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
CN-101808987-A Dibasic Phenylpyrrolidine as cortex catecholamine energy neurotransmission conditioning agent NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-08-18 CN disclosed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 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 (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 9/4885HTR1A 94/4885HTR2A 86/4885

“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.