SCHEMBL14829040

SCHEMBL14829040

CCOC(CNc1nc2cc(Cl)cnc2nc1N1CCN(C)CC1)OCC

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 0.44
HRH3 Q9Y5N1 4/20 0.42
HTR3A P46098 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.38

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
SCHEMBL14828801 0.88 GPR6 (0.37) HRH4KMT2A
SCHEMBL14829189 0.84 PGK1 (0.42) KMT2A
SCHEMBL14829059 0.82 ALDH1A1 (0.48) HRH4HTR3AALDH1A1TP53GAA
SCHEMBL14829046 0.79 HRH4 (0.35) HRH4HRH3HTR3AKMT2A
SCHEMBL14829413 0.78 HRH4 (0.50) HRH4HRH3HTR3A
SCHEMBL14828890 0.75 HRH4 (0.53) HRH4HRH3HTR3A
SCHEMBL23234578 0.74 HRH4 (0.44) HRH4HRH3HTR3A
SCHEMBL14828829 0.74 HRH4 (0.56) HRH4HRH3HTR3A
SCHEMBL14828753 0.70 HRH4 (0.57) HRH4HRH3HTR3A
SCHEMBL14828867 0.68 JAK3 (0.33) HRH4HTR3AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3461825-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2019-04-03 EP disclosed
EP-2760865-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RES LAB (KR) 2018-07-11 EP disclosed
US-9586959-B2 Substituted tricyclic heterocycles as histamine 4 receptor inhibitors C&C RESEARCH LABORATORIES (KR) 2017-03-07 US disclosed
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 US disclosed
EP-2760865-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2014-08-06 EP disclosed
WO-2013048214-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2013-04-04 WO 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-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES HRH4, HRH2, HRH1 HRH4 1/4885HRH3 4/4885HTR3A 353/4885

“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.