SCHEMBL4383394

SCHEMBL4383394

CC(C)N1CCC(N2CCN(CCN3CCCCC3)C2=C(C#N)C#N)CC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.59
DRD3 P35462 2/20 0.34
KCNH2 Q12809 2/20 0.34
DRD2 P14416 1/20 0.33

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
SCHEMBL4388559 0.93 HRH3 (0.61) HRH3
SCHEMBL4389011 0.88 HRH3 (0.56) HRH3
SCHEMBL4383770 0.84 HRH3 (0.47) HRH3
SCHEMBL4388044 0.83 HRH3 (0.40) HRH3
SCHEMBL4383998 0.83 HRH3 (0.68) HRH3KCNH2
SCHEMBL4384000 0.83 HRH3 (0.68) HRH3KCNH2
SCHEMBL4391281 0.83 HRH3 (0.68) HRH3KCNH2
SCHEMBL13788007 0.82 HRH3 (0.46) HRH3
SCHEMBL4390856 0.81 HRH3 (0.45) HRH3
SCHEMBL4388482 0.81 HRH3 (0.45) HRH3DRD3KCNH2DRD2

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-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 HRH3 452/4885DRD3 126/4885KCNH2 1776/4885

“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.