SCHEMBL2012279

SCHEMBL2012279

O=C(C1CCNCC1)N(CCC1C(Nc2nccc(N3CCCCCC3)n2)CCCN1C1CCCCC1)C1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 8/20 0.37
▸ CCNK O75909 2/20 0.36
▸ CDK12 Q9NYV4 2/20 0.36
▸ CXCR4 P61073 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ PRKD1 Q15139 1/20 0.33
▸ PRKD2 Q9BZL6 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ CCR4 P51679 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31

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
SCHEMBL13696548 1.00 HRH4 (0.37) HRH4CCNKCDK12CXCR4HRH3
SCHEMBL2011411 0.89 CCNK (0.34) HRH4CCNKCDK12CXCR4
SCHEMBL13696551 0.89 CCNK (0.34) HRH4CCNKCDK12CXCR4
SCHEMBL2009122 0.86 HRH4 (0.38) HRH4CXCR4HRH3PRKD1PRKD2
SCHEMBL13696546 0.86 HRH4 (0.38) HRH4CXCR4HRH3PRKD1PRKD2
SCHEMBL2009395 0.85 CXCR4 (0.38) HRH4CXCR4HRH3PRKD1PRKD2
SCHEMBL4116289 0.85 HRH4 (0.38) HRH4CXCR4HRH3PRKD1PRKD2
SCHEMBL2009481 0.85 HRH4 (0.39) HRH4CCNKCDK12CXCR4HRH3
SCHEMBL13696539 0.85 HRH4 (0.39) HRH4CCNKCDK12CXCR4HRH3
Hydrochloric Acid SCHEMBL4116397 0.85 HRH4 (0.38) HRH4CCNKCDK12CXCR4HRH3

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-20090233908-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-09-17 — — US claimed
EP-1852432-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-07 — — EP 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 HRH4 152/4885CCNK 1091/4885CDK12 1392/4885
US-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE CXCL12, CXCR4, PDE6C HRH4 2600/4885CCNK 2786/4885CDK12 2836/4885

“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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