SCHEMBL4387729

SCHEMBL4387729

N#CC(C#N)=C1N(CCCN2CCOCC2)CCN1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
DRD2 P14416 4/20 0.42
DRD4 P21917 4/20 0.42
DRD3 P35462 4/20 0.42
POLB P06746 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GAA P10253 1/20 0.38
CCR3 P51677 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM3 P20309 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4382972 0.90 HRH3 (0.56) HRH3DRD2DRD4DRD3
SCHEMBL4382962 0.86 HRH3 (0.54) HRH3DRD2DRD4DRD3CHRM2
SCHEMBL4384577 0.86 DRD2 (0.45) HRH3DRD2DRD4DRD3CCR3
SCHEMBL4391299 0.85 HRH3 (0.52) HRH3DRD2DRD4DRD3
SCHEMBL4386020 0.83 DRD2 (0.47) HRH3DRD2DRD4DRD3CCR3
SCHEMBL4391564 0.83 HRH3 (0.49) HRH3KDM4EMAPTCYP1A2CYP2D6
SCHEMBL4393985 0.82 HRH3 (0.50) HRH3KDM4EMAPTCYP1A2CYP3A4
SCHEMBL4388989 0.82 HRH3 (0.53) HRH3DRD2DRD4DRD3CHRM2
SCHEMBL4392329 0.80 HRH3 (0.50) HRH3KDM4EMAPTCYP1A2CYP2D6
SCHEMBL4383770 0.80 HRH3 (0.47) HRH3CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 HRH3 452/4885DRD2 83/4885DRD4 75/4885

“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.