SCHEMBL14828896

SCHEMBL14828896

CN1CCN(c2nc3ncc(C(F)(F)F)cc3nc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.55
HRH3 Q9Y5N1 4/20 0.55
HTR3A P46098 3/20 0.50
HTR3B O95264 2/20 0.50
KDM4E B2RXH2 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR2C P28335 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL14828829 0.83 HRH4 (0.56) HRH4HRH3HTR3AHTR3BSMN1; SMN2
SCHEMBL14829120 0.82 HRH4 (0.52) HRH4HRH3HTR3AHTR3BKDM4E
SCHEMBL14828844 0.82 HRH4 (0.55) HRH4HRH3HTR3AHTR3BKDM4E
SCHEMBL14828756 0.81 HRH4 (0.54) HRH4HRH3HTR3AHTR3BSMN1; SMN2
SCHEMBL14828796 0.81 HRH4 (0.54) HRH4HRH3HTR3AHTR3BSMN1; SMN2
SCHEMBL439765 0.80 HRH4 (0.63) HRH4HTR3AHTR3BKDM4EHTR3E
SCHEMBL440993 0.80 HRH4 (0.63) HRH4HTR3AHTR3BKDM4EHTR3E
SCHEMBL14828753 0.79 HRH4 (0.57) HRH4HRH3HTR3AHTR3BKDM4E
SCHEMBL10285833 0.78 HRH4 (0.50) HRH4HTR3AHTR3BKDM4EHTR3E
SCHEMBL14136353 0.77 SMN1; SMN2 (0.70) TP53SMN1; SMN2LMNAPOLBMEN1

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.