SCHEMBL3119484

SCHEMBL3119484

CCCCN1CCC(O)(c2ccc(Cl)cc2Cl)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.54
CCR1 P32246 2/20 0.43
ADRA1A P35348 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42
DRD3 P35462 1/20 0.42
CCR3 P51677 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL3121532 0.92 DRD2 (0.50) DRD2CCR1ADRA1AHTR1AADRA2A
SCHEMBL3117499 0.88 DRD2 (0.47) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL3125929 0.88 DRD2 (0.52) DRD2CCR1ADRA1AHTR1AADRA2A
SCHEMBL3111241 0.87 DRD2 (0.49) DRD2CCR1CCR3
SCHEMBL3119765 0.84 DRD2 (0.47) DRD2CCR1ADRA1AHTR1AADRA2A
SCHEMBL8080898 0.81 DRD2 (0.60) DRD2CCR1ADRA1AHTR1AADRA2A
SCHEMBL3124241 0.81 DRD2 (0.47) DRD2CCR1CCR3
SCHEMBL3111876 0.80 DRD2 (0.45) DRD2ADRA1AHTR1AADRA2AADRA2B
SCHEMBL3124228 0.80 DRD2 (0.54) DRD2CCR1HTR1ADRD4HTR2A
SCHEMBL3114670 0.80 DRD2 (0.48) DRD2CCR1ADRA1AHTR1AADRA2A

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 3 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
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 9/4885CCR1 3824/4885ADRA1A 40/4885

“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.