SCHEMBL13696539

SCHEMBL13696539

O=C(NCC[C@@H]1[C@@H](Nc2nccc(N3CCCCCCC3)n2)CCCN1C1CCOCC1)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.39
▸ CCNK O75909 2/20 0.37
▸ CDK12 Q9NYV4 2/20 0.37
▸ ALK Q9UM73 6/20 0.36
▸ IGF1R P08069 2/20 0.36
▸ CXCR4 P61073 2/20 0.36
▸ GPBAR1 Q8TDU6 2/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ PRKD1 Q15139 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ PRKD2 Q9BZL6 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL2009481 1.00 HRH4 (0.39) HRH4CCNKCDK12ALKIGF1R
Hydrochloric Acid SCHEMBL4116397 0.99 HRH4 (0.38) HRH4CCNKCDK12ALKIGF1R
SCHEMBL4105443 0.95 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
SCHEMBL13696576 0.95 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
SCHEMBL13696535 0.95 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
SCHEMBL2014328 0.95 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
SCHEMBL2011401 0.95 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
Hydrochloric Acid SCHEMBL4116285 0.94 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
Hydrochloric Acid SCHEMBL4120882 0.94 HRH4 (0.41) HRH4ALKIGF1RCXCR4GPBAR1
SCHEMBL4116407 0.92 HRH4 (0.39) 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 4 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 disclosed
US-8680092-B2 Nitrogenous heterocyclic compound and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-25 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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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