SCHEMBL4384502

SCHEMBL4384502

CC1CCCN1CCCNC(=C(C#N)C#N)N1CCC(CN2CCCC2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.40
CXCR4 P61073 6/20 0.37
CYP2D6 P10635 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL4391499 0.93 HRH3 (0.41) HRH3CXCR4TSHRALDH1A1HSD17B10
SCHEMBL4391508 0.93 HRH3 (0.41) HRH3CXCR4TSHRALDH1A1HSD17B10
SCHEMBL4394511 0.93 HRH3 (0.41) HRH3CXCR4TSHRALDH1A1HSD17B10
SCHEMBL4396981 0.91 HRH3 (0.43) HRH3CXCR4CYP2D6CYP3A4CYP1A2
SCHEMBL4388973 0.87 HRH3 (0.44) HRH3TSHRALDH1A1NPC1
SCHEMBL4386340 0.84 HRH3 (0.39) HRH3CXCR4CYP2D6CYP3A4CYP1A2
SCHEMBL4381878 0.84 HRH3 (0.44) HRH3TSHRALDH1A1HSD17B10
SCHEMBL4381873 0.84 HRH3 (0.44) HRH3TSHRALDH1A1HSD17B10
SCHEMBL4382192 0.84 HRH3 (0.44) HRH3TSHRALDH1A1HSD17B10
SCHEMBL13788003 0.81 HRH3 (0.36) HRH3CXCR4CYP2D6CYP3A4CYP1A2

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 452/4885CXCR4 1707/4885CYP2D6 1166/4885

“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.