SCHEMBL4393986

SCHEMBL4393986

CN1CCCC1CCN1CCN(CCC2CCCN2C)C1=C(C#N)C#N

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.57
CYP1A2 P05177 1/20 0.42
ADRA2A P08913 1/20 0.38
SLC6A4 P31645 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
Hydrochloric Acid SCHEMBL4383465 0.83 HRH3 (0.42) HRH3CYP1A2SLC6A4
SCHEMBL4383194 0.82 HRH3 (0.41) HRH3CYP1A2SLC6A4
SCHEMBL4383178 0.77 DRD2 (0.42) HRH3
SCHEMBL4387707 0.77 TP53 (0.43) HRH3
SCHEMBL8686797 0.73 CYP1A2 (0.48) CYP1A2ADRA2ASLC6A4
SCHEMBL4383092 0.73 HRH3 (1.00) HRH3
SCHEMBL4389762 0.73 HRH3 (1.00) HRH3
SCHEMBL4383087 0.73 HRH3 (1.00) HRH3
SCHEMBL4389638 0.72 HRH3 (0.57) HRH3
SCHEMBL4389643 0.72 HRH3 (0.57) HRH3

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 4 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
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
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 452/4885CYP1A2 1961/4885ADRA2A 2644/4885

“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.