SCHEMBL3105655

SCHEMBL3105655

C=CCN1CCN(c2cccc(C#N)c2O)CC1.CCCN1CCN(c2cccc(C#N)c2N)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
DRD2 P14416 8/20 0.40
DRD3 P35462 2/20 0.40
HTR7 P34969 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASP7 P55210 1/20 0.38
HTR1A P08908 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.35
ADRA1D P25100 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
SCHEMBL5507695 0.91 DRD4 (0.38) DRD4LMNAGAADRD2DRD3
SCHEMBL5509209 0.91 DRD4 (0.38) DRD4LMNAGAADRD2DRD3
SCHEMBL2783874 0.86 CYP1A2 (0.47) DRD4DRD2DRD3HTR7CYP1A2
SCHEMBL2782927 0.86 CYP1A2 (0.47) DRD4LMNAGAADRD2DRD3
SCHEMBL2784213 0.85 DRD2 (0.52) DRD4LMNAGAADRD2DRD3
SCHEMBL2784012 0.85 DRD2 (0.52) DRD4LMNAGAADRD2DRD3
SCHEMBL5532866 0.81 DRD4 (0.38) DRD4LMNAGAADRD2DRD3
SCHEMBL5522908 0.80 DRD4 (0.38) DRD4LMNAGAADRD2DRD3
SCHEMBL5505529 0.76 DRD2 (0.42) DRD2DRD3HTR1AADRA1AADRA1B
SCHEMBL2783857 0.75 DRD4 (0.46) DRD4DRD2DRD3HTR7CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2010-10-07 US claimed

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-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 DRD4 2/4885LMNA 4879/4885GAA 3843/4885

“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.