SCHEMBL4124337

SCHEMBL4124337

O=C(NCC[C@@H]1[C@@H](Nc2nccc(N3CCCCCC3)n2)CCN1C1CCCCC1)C1CNCCO1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 9/20 0.37
▸ CXCR4 P61073 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.33
▸ SSTR4 P31391 4/20 0.33
▸ ALK Q9UM73 2/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ IGF1R P08069 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
SCHEMBL2008040 1.00 HRH4 (0.37) HRH4CXCR4HRH3SSTR4ALK
SCHEMBL13696568 0.96 HRH4 (0.36) HRH4CXCR4HRH3SSTR4ALK
SCHEMBL2009397 0.96 HRH4 (0.36) HRH4CXCR4HRH3SSTR4ALK
SCHEMBL4114667 0.87 HRH4 (0.38) HRH4CXCR4HRH3ALKIGF1R
SCHEMBL4114585 0.87 HRH4 (0.38) HRH4CXCR4HRH3ALKIGF1R
SCHEMBL2014326 0.87 HRH4 (0.38) HRH4CXCR4HRH3ALKIGF1R
SCHEMBL2014177 0.84 HRH4 (0.38) HRH4CXCR4ALKIGF1R
SCHEMBL4116016 0.84 HRH4 (0.38) HRH4CXCR4ALKIGF1R
SCHEMBL13696570 0.84 HRH4 (0.38) HRH4CXCR4ALKIGF1R
SCHEMBL2012993 0.83 HRH4 (0.38) HRH4CXCR4HRH3ALKIGF1R

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 8 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 claimed
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-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
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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