SCHEMBL2009395

SCHEMBL2009395

NCCN(CCC1C(Nc2nccc(N3CCCCCC3)n2)CCCN1C1CCCCC1)C(=O)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.38
▸ HRH4 Q9H3N8 9/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.34
▸ PRKD1 Q15139 3/20 0.33
▸ PRKD2 Q9BZL6 3/20 0.33
▸ ADRB1 P08588 1/20 0.33
▸ CCR4 P51679 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ PRKD3 O94806 1/20 0.31
▸ STK17A Q9UEE5 1/20 0.31
▸ MAPK10 P53779 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
SCHEMBL13696546 0.93 HRH4 (0.38) CXCR4HRH4HRH3PRKD1PRKD2
SCHEMBL2009122 0.93 HRH4 (0.38) CXCR4HRH4HRH3PRKD1PRKD2
SCHEMBL4116289 0.91 HRH4 (0.38) CXCR4HRH4HRH3PRKD1PRKD2
SCHEMBL13696549 0.91 HRH4 (0.36) CXCR4HRH4HRH3CCR4
SCHEMBL2013989 0.91 HRH4 (0.36) CXCR4HRH4HRH3CCR4
SCHEMBL14391839 0.89 CXCR4 (0.38) CXCR4HRH4HRH3PRKD2CCR4
SCHEMBL13696550 0.89 CXCR4 (0.38) CXCR4HRH4HRH3PRKD2CCR4
SCHEMBL2012279 0.85 HRH4 (0.37) CXCR4HRH4HRH3PRKD1PRKD2
SCHEMBL13696548 0.85 HRH4 (0.37) CXCR4HRH4HRH3PRKD1PRKD2
SCHEMBL4105443 0.84 HRH4 (0.41) CXCR4HRH4HRH3

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 CXCR4 1/4885HRH4 152/4885HRH3 158/4885
US-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE CXCL12, CXCR4, PDE6C CXCR4 2/4885HRH4 2600/4885HRH3 1330/4885

“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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