SCHEMBL1938176

SCHEMBL1938176

NC(=O)c1ccc(NC2CCNCC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.59
IRAK4 Q9NWZ3 1/20 0.55
NNMT P40261 1/20 0.54
HRH3 Q9Y5N1 1/20 0.48
TDO2 P48775 1/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
PRKD1 Q15139 2/20 0.46
PRKD2 Q9BZL6 2/20 0.46
CCR6 P51684 1/20 0.45

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
Hydrochloric Acid SCHEMBL2416614 0.99 HCAR3 (0.57) HCAR3IRAK4NNMTHRH3TDO2
SCHEMBL12277201 0.87 HCAR3 (0.79) HCAR3HRH3TDO2
Hydrochloric Acid SCHEMBL2415307 0.85 HCAR3 (0.77) HCAR3HRH3TDO2
SCHEMBL17276030 0.85 HCAR3 (0.72) HCAR3NNMTCCR6
SCHEMBL1937458 0.84 HCAR3 (0.65) HCAR3NNMTCCR6
SCHEMBL1937459 0.84 HCAR3 (0.65) HCAR3NNMTCCR6
SCHEMBL4233677 0.83 HCAR3 (0.56) HCAR3IRAK4HRH3TDO2
SCHEMBL2960460 0.83 HCAR3 (0.60) HCAR3TDO2
SCHEMBL30423180 0.82 HDAC1 (0.52) IRAK4NNMTHRH3AURKARPS6KB1
SCHEMBL31695136 0.81 HCAR3 (0.66) HCAR3NNMTCCR6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026255-B2 Substituted piperidines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMAN-LA ROCHE INC. (US) 2011-09-27 US disclosed
US-8026255-B2 Substituted piperidines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMAN-LA ROCHE INC. (US) 2011-09-27 US disclosed
CN-102159547-A Heterocyclic carboxamide compounds ASTELLAS PHARMA INC 2011-08-17 CN disclosed
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
US-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-07-07 US disclosed
EP-2331507-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2011-06-15 EP disclosed
US-20100222350-A1 PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES BINGGELI ALFRED 2010-09-02 US disclosed
US-20100222350-A1 PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES BINGGELI ALFRED 2010-09-02 US disclosed
US-7754744-B2 Substituted piperidinamines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMANN-LA ROCHE INC. (US) 2010-07-13 US disclosed
US-7754744-B2 Substituted piperidinamines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMANN-LA ROCHE INC. (US) 2010-07-13 US disclosed
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO disclosed
WO-2010032875-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-25 WO disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US disclosed
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 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-20110166161-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS ROCK1, ROCK2, RHOT2 HCAR3 195/4885IRAK4 1074/4885NNMT 65/4885
US-20100222350-A1 PHENYL, PYRIDINE, QUINOLINE, ISOQUINOLINE, NAPHTHYRIDINE AND PYRAZINE DERIVATIVES SSTR5, SSTR3, SSTR1 HCAR3 140/4885IRAK4 1750/4885NNMT 1710/4885
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 HCAR3 140/4885IRAK4 1750/4885NNMT 1710/4885

“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.