SCHEMBL13696555

SCHEMBL13696555

c1cc(N2CCCCCC2)nc(N[C@H]2CCCN(C3CCCCC3)[C@@H]2CCNCC2CCNCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 12/20 0.49
▸ CXCR4 P61073 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.38
▸ MKNK1 Q9BUB5 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ MAPK8 P45983 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
SCHEMBL4105542 1.00 HRH4 (0.49) HRH4CXCR4HRH3MKNK1DGAT2
SCHEMBL4113781 0.89 HRH4 (0.41) HRH4CXCR4HRH3DGAT2
Hydrochloric Acid SCHEMBL4109065 0.88 HRH4 (0.51) HRH4CXCR4HRH3MKNK1MAPK8
SCHEMBL4116327 0.86 HRH4 (0.43) HRH4CXCR4HRH3MKNK1
SCHEMBL4105443 0.86 HRH4 (0.41) HRH4CXCR4HRH3
SCHEMBL13696535 0.86 HRH4 (0.41) HRH4CXCR4HRH3
SCHEMBL2011401 0.86 HRH4 (0.41) HRH4CXCR4HRH3
SCHEMBL2014328 0.86 HRH4 (0.41) HRH4CXCR4HRH3
SCHEMBL13696576 0.86 HRH4 (0.41) HRH4CXCR4HRH3
Hydrochloric Acid SCHEMBL4120882 0.85 HRH4 (0.41) HRH4CXCR4HRH3

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 5 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-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
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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