SCHEMBL3122007

SCHEMBL3122007

CCCN1CCC(O)(c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.47
HTR1A P08908 5/20 0.47
HTR2A P28223 5/20 0.47
HRH1 P35367 5/20 0.47
DRD3 P35462 5/20 0.47
DRD4 P21917 4/20 0.47
HTR2C P28335 4/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
ADRA2A P08913 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
OPRL1 P41146 4/20 0.45
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 6/20 0.42
OPRK1 P41145 4/20 0.42
HTR7 P34969 4/20 0.42
HRH2 P25021 3/20 0.42
HTR1D P28221 3/20 0.42

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
SCHEMBL3118433 0.93 DRD2 (0.48) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3857869 0.92 DRD2 (0.51) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3115708 0.90 DRD2 (0.50) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3118837 0.90 OPRL1 (0.46) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3113376 0.88 DRD2 (0.49) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3111203 0.88 DRD2 (0.47) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3123206 0.86 DRD2 (0.43) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3853387 0.84 OPRL1 (0.51) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3118470 0.84 OPRL1 (0.44) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL3120553 0.82 DRD2 (0.51) 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 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 9/4885HTR1A 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.