SCHEMBL14828992

SCHEMBL14828992

Clc1cnc2nc(N3CCNCC3)c3nccn3c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 1.00
HRH3 Q9Y5N1 2/20 0.51
HTR3A P46098 2/20 0.51
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2C P28335 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46

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
SCHEMBL20374531 0.89 HRH4 (0.80) HRH4HRH3HTR3AHTR3EHTR3B
SCHEMBL14829000 0.85 HRH4 (1.00) HRH4HRH3HTR3AHTR3EHTR3B
SCHEMBL14828767 0.82 HRH4 (1.00) HRH4HRH3HTR3A
SCHEMBL405669 0.81 HRH4 (0.67) HRH4HRH3HTR3AHTR3EHTR3B
SCHEMBL14828771 0.78 HRH4 (0.91) HRH4HRH3HTR3A
SCHEMBL14828935 0.78 HRH4 (1.00) HRH4HRH3HTR3A
SCHEMBL14828835 0.76 HRH4 (0.64) HRH4HRH3HTR3A
SCHEMBL20374602 0.75 HRH4 (0.60) HRH4HRH3HTR3A
SCHEMBL406592 0.74 HRH4 (0.58) HRH4HTR3AHTR3EHTR3BHTR1A
SCHEMBL20374428 0.73 HRH4 (0.67) HRH4HRH3HTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760865-B1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RES LAB (KR) 2018-07-11 EP claimed
US-9586959-B2 Substituted tricyclic heterocycles as histamine 4 receptor inhibitors C&C RESEARCH LABORATORIES (KR) 2017-03-07 US claimed
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 US claimed
EP-2760865-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C Research Laboratories (KR) 2014-08-06 EP claimed
WO-2013048214-A2 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2013-04-04 WO claimed
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
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-9586959-B2 Substituted tricyclic heterocycles as histamine 4 receptor inhibitors C&C RESEARCH LABORATORIES (KR) 2017-03-07 US 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
US-20140315888-A1 NOVEL HETEROCYCLIC DERIVATIVES AND THEIR USES C&C RESEARCH LABORATORIES (KR) 2014-10-23 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
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.