SCHEMBL4119612

SCHEMBL4119612

CN(C)CCC1C(Nc2nccc(N3CCCCCC3)n2)CCCN1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 15/20 0.44
▸ CXCR4 P61073 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.36
▸ OGA O60502 1/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ MAPK8 P45983 1/20 0.35
▸ MAPK9 P45984 1/20 0.35

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
SCHEMBL229588 0.95 HRH4 (0.45) HRH4CXCR4HRH3OGACCNB2
SCHEMBL231412 0.90 HRH4 (0.43) HRH4CXCR4HRH3OGACCNB2
SCHEMBL4105549 0.89 HRH4 (0.43) HRH4CXCR4HRH3OGACCNB2
SCHEMBL229591 0.88 HRH4 (0.44) HRH4CXCR4HRH3CCNB2CDK1
SCHEMBL2009056 0.87 CXCR4 (0.52) HRH4CXCR4HRH3MAPK8
SCHEMBL13696532 0.87 CXCR4 (0.52) HRH4CXCR4HRH3MAPK8
SCHEMBL13696531 0.85 HRH4 (0.47) HRH4CXCR4HRH3OGAEGFR
SCHEMBL4116327 0.84 HRH4 (0.43) HRH4CXCR4HRH3
SCHEMBL13696558 0.84 HRH4 (0.38) HRH4CXCR4HRH3MAPK8
SCHEMBL2010696 0.84 HRH4 (0.38) HRH4CXCR4HRH3MAPK8

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
US-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-09-17 — — US disclosed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 — — 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-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF CXCR4, CXCR1, CXCL12 HRH4 152/4885CXCR4 1/4885HRH3 158/4885

“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.

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