SCHEMBL3120735

SCHEMBL3120735

C=CCN1CCC(O)(c2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
DRD2 P14416 2/20 0.42
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR3 P51677 1/20 0.38
DRD4 P21917 3/20 0.37
DRD3 P35462 3/20 0.37
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
OPRL1 P41146 3/20 0.36
OPRM1 P35372 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL3124341 0.91 DRD2 (0.43) CCR1DRD2DRD4DRD3HTR1A
SCHEMBL3113271 0.82 TSHR (0.41) DRD2KDM4EKMT2ADRD4DRD3
SCHEMBL3113407 0.82 DRD2 (0.46) CCR1DRD2KDM4EKMT2ACCR3
SCHEMBL3111818 0.81 KDM4E (0.42) CCR1DRD2KDM4EKMT2ACCR3
SCHEMBL3114519 0.80 DRD2 (0.44) CCR1DRD2KDM4EKMT2ACCR3
SCHEMBL3121910 0.79 TSHR (0.42) DRD2KDM4EKMT2ACCR3DRD4
SCHEMBL3118518 0.79 OPRL1 (0.44) CCR1DRD2KDM4EKMT2ADRD4
SCHEMBL3122675 0.78 DRD2 (0.47) CCR1DRD2CCR3ADRA2AADRA2B
SCHEMBL3124468 0.78 DRD2 (0.45) CCR1DRD2KDM4EKMT2ACCR3
SCHEMBL3113242 0.77 DRD2 (0.42) CCR1DRD2KDM4EKMT2ACCR3

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 5 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
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 CCR1 3824/4885DRD2 9/4885KDM4E 1020/4885

“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.