SCHEMBL229091

SCHEMBL229091

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

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 2/20 0.53
▸ HRH4 Q9H3N8 16/20 0.45
▸ MAPK8 P45983 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35

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
SCHEMBL229092 1.00 CXCR4 (0.53) CXCR4HRH4MAPK8HRH3
SCHEMBL2009056 0.95 CXCR4 (0.52) CXCR4HRH4MAPK8HRH3
SCHEMBL13696532 0.95 CXCR4 (0.52) CXCR4HRH4MAPK8HRH3
SCHEMBL229157 0.94 CXCR4 (0.51) CXCR4HRH4MAPK8HRH3
SCHEMBL230553 0.94 CXCR4 (0.51) CXCR4HRH4MAPK8HRH3
SCHEMBL4110591 0.93 CXCR4 (0.50) CXCR4HRH4MAPK8HRH3
SCHEMBL230622 0.92 CXCR4 (0.49) CXCR4HRH4MAPK8
SCHEMBL230947 0.92 CXCR4 (0.52) CXCR4HRH4MAPK8HRH3
SCHEMBL230946 0.92 CXCR4 (0.52) CXCR4HRH4MAPK8HRH3
SCHEMBL13696670 0.89 HRH4 (0.47) CXCR4HRH4MAPK8HRH3

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 15 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-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-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-20120003275-A1 Compositions and Methods for the Treatment of Ophthalmic Disease ALLERGAN, INC. 2012-01-05 — — 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
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
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 (3 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 152/4885MAPK8 1761/4885
US-20120003275-A1 Compositions and Methods for the Treatment of Ophthalmic Disease CXCL12, CXCR4, PDE6C CXCR4 2/4885HRH4 2600/4885MAPK8 3375/4885
US-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE CXCL12, CXCR4, PDE6C CXCR4 2/4885HRH4 2600/4885MAPK8 3375/4885

“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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