SCHEMBL2013194

SCHEMBL2013194

O=C(NCCC1C(Nc2nccc(N3CCCCCC3)n2)CCCN1C1CCS(=O)(=O)CC1)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.39
▸ ALK Q9UM73 10/20 0.36
▸ IGF1R P08069 3/20 0.36
▸ CXCR4 P61073 2/20 0.36
▸ GPBAR1 Q8TDU6 3/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ERG P11308 1/20 0.34
▸ CCR4 P51679 1/20 0.34

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
SCHEMBL13696554 1.00 HRH4 (0.39) HRH4ALKIGF1RCXCR4GPBAR1
Hydrochloric Acid SCHEMBL4104069 0.99 HRH4 (0.38) HRH4ALKIGF1RCXCR4GPBAR1
SCHEMBL13696535 0.95 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
SCHEMBL13696576 0.95 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
SCHEMBL2011401 0.95 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
SCHEMBL4105443 0.95 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
SCHEMBL2014328 0.95 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
SCHEMBL4116407 0.94 HRH4 (0.39) HRH4ALKIGF1RCXCR4GPBAR1
Hydrochloric Acid SCHEMBL4120882 0.94 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
Hydrochloric Acid SCHEMBL4116285 0.94 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1

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 152/4885ALK 222/4885IGF1R 861/4885
US-20070203089-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF OPHTHALMIC DISEASE CXCL12, CXCR4, PDE6C HRH4 2600/4885ALK 2330/4885IGF1R 1515/4885

“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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