SCHEMBL4391499

SCHEMBL4391499

CC1CCCN1CC1CCN(C(NCCN2CCC[C@@H]2C)=C(C#N)C#N)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.41
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CXCR4 P61073 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4394511 1.00 HRH3 (0.41) HRH3TSHRMEN1KMT2AALDH1A1
SCHEMBL4391508 1.00 HRH3 (0.41) HRH3TSHRMEN1KMT2AALDH1A1
SCHEMBL4384502 0.93 HRH3 (0.40) HRH3TSHRALDH1A1HSD17B10CXCR4
SCHEMBL4381878 0.91 HRH3 (0.44) HRH3TSHRMEN1KMT2AALDH1A1
SCHEMBL4382192 0.91 HRH3 (0.44) HRH3TSHRMEN1KMT2AALDH1A1
SCHEMBL4388973 0.91 HRH3 (0.44) HRH3TSHRMEN1KMT2AALDH1A1
SCHEMBL4381873 0.91 HRH3 (0.44) HRH3TSHRMEN1KMT2AALDH1A1
SCHEMBL4396981 0.85 HRH3 (0.43) HRH3TSHRALDH1A1HSD17B10CXCR4
SCHEMBL4386340 0.77 HRH3 (0.39) HRH3TSHRALDH1A1CXCR4
SCHEMBL4394004 0.77 HRH3 (0.34) HRH3ALDH1A1

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 452/4885TSHR 656/4885MEN1 3396/4885

“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.