SCHEMBL4381878

SCHEMBL4381878

CC1CCCN1CCNC(=C(C#N)C#N)N1CCC(CN2CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 2/20 0.37
MAPT P10636 7/20 0.35
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
CHRM4 P08173 1/20 0.32

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
SCHEMBL4382192 1.00 HRH3 (0.44) HRH3MEN1KMT2ATSHRMAPT
SCHEMBL4381873 1.00 HRH3 (0.44) HRH3MEN1KMT2ATSHRMAPT
SCHEMBL4396981 0.94 HRH3 (0.43) HRH3TSHRMAPTALDH1A1HSD17B10
SCHEMBL4388973 0.91 HRH3 (0.44) HRH3MEN1KMT2ATSHRMAPT
SCHEMBL4391508 0.91 HRH3 (0.41) HRH3MEN1KMT2ATSHRKDM4E
SCHEMBL4391499 0.91 HRH3 (0.41) HRH3MEN1KMT2ATSHRKDM4E
SCHEMBL4394511 0.91 HRH3 (0.41) HRH3MEN1KMT2ATSHRKDM4E
SCHEMBL4384271 0.86 CHRM5 (0.40) TSHRMAPTCHRM5ADRA2CTP53
SCHEMBL4384502 0.84 HRH3 (0.40) HRH3TSHRALDH1A1HSD17B10
SCHEMBL4389771 0.82 RAD52 (0.38) HRH3MEN1KMT2ATSHRMAPT

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 452/4885MEN1 3396/4885KMT2A 441/4885

“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.