SCHEMBL4116016

SCHEMBL4116016

O=C(NCCC1C(Nc2nccc(N3CCCCCC3)n2)CCCN1C1CCCCC1)C1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.38
▸ CXCR4 P61073 2/20 0.38
▸ ALK Q9UM73 12/20 0.38
▸ IGF1R P08069 4/20 0.37
▸ GPBAR1 Q8TDU6 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK3 P52333 1/20 0.36

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
SCHEMBL13696570 1.00 HRH4 (0.38) HRH4CXCR4ALKIGF1RGPBAR1
SCHEMBL2014177 1.00 HRH4 (0.38) HRH4CXCR4ALKIGF1RGPBAR1
Hydrochloric Acid SCHEMBL4110597 0.99 HRH4 (0.38) HRH4CXCR4ALKIGF1RGPBAR1
SCHEMBL2012993 0.96 HRH4 (0.38) HRH4CXCR4ALKIGF1RGPBAR1
SCHEMBL4110855 0.96 HRH4 (0.38) HRH4CXCR4ALKIGF1RGPBAR1
SCHEMBL15589776 0.96 HRH4 (0.38) HRH4CXCR4ALKIGF1RGPBAR1
SCHEMBL13696569 0.96 HRH4 (0.38) HRH4CXCR4ALKIGF1RGPBAR1
SCHEMBL2011047 0.96 HRH4 (0.38) HRH4CXCR4ALKIGF1RGPBAR1
SCHEMBL2011401 0.95 HRH4 (0.41) HRH4CXCR4ALKIGF1RGPBAR1
SCHEMBL13696535 0.95 HRH4 (0.41) HRH4CXCR4ALKIGF1RGPBAR1

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-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-09-17 — — US claimed
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

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 1/4885ALK 222/4885

“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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