SCHEMBL2011411

SCHEMBL2011411

O=C(C1CNCCO1)N(CCC1C(Nc2nccc(N3CCCCCC3)n2)CCCN1C1CCCCC1)C1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 2/20 0.34
▸ CDK12 Q9NYV4 2/20 0.34
▸ REN P00797 14/20 0.34
▸ HRH4 Q9H3N8 3/20 0.33
▸ CXCR4 P61073 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
SCHEMBL13696551 1.00 CCNK (0.34) CCNKCDK12RENHRH4CXCR4
SCHEMBL13696548 0.89 HRH4 (0.37) CCNKCDK12HRH4CXCR4
SCHEMBL2012279 0.89 HRH4 (0.37) CCNKCDK12HRH4CXCR4
SCHEMBL2009397 0.85 HRH4 (0.36) CCNKCDK12HRH4CXCR4
SCHEMBL13696568 0.85 HRH4 (0.36) CCNKCDK12HRH4CXCR4
SCHEMBL2008040 0.82 HRH4 (0.37) CCNKCDK12HRH4CXCR4
SCHEMBL4124337 0.82 HRH4 (0.37) CCNKCDK12HRH4CXCR4
SCHEMBL14391841 0.79 — —
SCHEMBL2009481 0.77 HRH4 (0.39) CCNKCDK12HRH4CXCR4
SCHEMBL13696539 0.77 HRH4 (0.39) CCNKCDK12HRH4CXCR4

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 7 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-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE ALLERGAN, INC. 2007-08-30 — — US claimed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — US disclosed
US-7964191-B2 Compositions and methods for the treatment of ophthalmic disease ALLERGAN, INC. (US) 2011-06-21 — — 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
US-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE ALLERGAN, INC. 2007-08-30 — — 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 (2 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 CCNK 1091/4885CDK12 1392/4885REN 96/4885
US-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE CXCL12, CXCR4, PDE6C CCNK 2786/4885CDK12 2836/4885REN 2638/4885

“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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