SCHEMBL3759922

SCHEMBL3759922

CCN1CCC(c2cccc(C#N)c2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.48
OPRL1 P41146 1/20 0.48
DRD2 P14416 4/20 0.44
DRD3 P35462 3/20 0.44
HTR6 P50406 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
SLC6A4 P31645 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
HTR2C P28335 2/20 0.39
KDM2B Q8NHM5 1/20 0.39
TLR9 Q9NR96 1/20 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
SCHEMBL2784987 0.89 DRD2 (0.56) DRD4OPRL1DRD2DRD3HTR6
SCHEMBL14163184 0.87 DRD4 (0.54) DRD4DRD2DRD3HTR6HRH3
SCHEMBL2783316 0.86 DRD4 (0.46) DRD4OPRL1DRD2DRD3HTR6
SCHEMBL2781201 0.84 DRD4 (0.47) DRD4DRD2DRD3HTR6HRH3
SCHEMBL3772743 0.84 NOS3 (0.46) DRD4DRD2DRD3HTR6HRH3
SCHEMBL2783219 0.84 DRD4 (0.45) DRD4OPRL1DRD2DRD3HTR6
SCHEMBL2783029 0.84 DRD4 (0.45) DRD4DRD2DRD3HTR6HRH3
SCHEMBL2781897 0.84 DRD2 (0.48) DRD4OPRL1DRD2DRD3HTR6
SCHEMBL5502940 0.78 NOS3 (0.41) DRD4DRD2DRD3HTR6HRH3
SCHEMBL3767627 0.78 DRD2 (0.44) DRD4OPRL1DRD2DRD3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851629-B2 Disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-12-14 US claimed
EP-1768958-B1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP claimed
US-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-08-02 US claimed
CN-1997631-A New disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NEUROSEARCH SWEDEN AB (SE) 2007-07-11 CN claimed
US-7851629-B2 Disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-12-14 US disclosed
CN-1997631-A New disubstituted phenylpiperidines as modulators of dopamine and serotonin neurotransmission NEUROSEARCH SWEDEN AB (SE) 2007-07-11 CN 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-20070179185-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES AS MODULATORS OF DOPAMINE AND SEROTONIN NEUROTRANSMISSION DRD2, DRD4, HTR4 DRD4 2/4885OPRL1 22/4885DRD2 1/4885

“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.