SCHEMBL404202

SCHEMBL404202

Cc1ccc2nc(N3CCN(C)CC3)c(Cl)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.70
HTR3B O95264 2/20 0.70
HTR3A P46098 2/20 0.70
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
TP53 P04637 1/20 0.54
HTR3E A5X5Y0 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 2/20 0.47

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
SCHEMBL27661218 1.00 HRH4 (0.70) HRH4HTR3BHTR3AKDM4EALDH1A1
SCHEMBL5772481 0.87 HRH4 (0.72) HRH4HTR3BHTR3AHRH3
SCHEMBL5774076 0.87 HRH4 (0.72) HRH4HTR3BHTR3AHRH3
SCHEMBL6362360 0.84 HRH4 (0.68) HRH4HTR3BHTR3AKDM4EHTR3E
SCHEMBL404203 0.83 HRH4 (1.00) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL30223251 0.83 HRH4 (0.73) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL405806 0.83 HRH4 (0.73) HRH4HTR3BHTR3AHTR3EHTR3D
Hydrochloric Acid SCHEMBL29694104 0.81 HRH4 (0.97) HRH4HTR3BHTR3AHTR3EHTR3D
SCHEMBL440993 0.81 HRH4 (0.63) HRH4HTR3BHTR3AKDM4ETSHR
SCHEMBL439765 0.81 HRH4 (0.63) HRH4HTR3BHTR3AKDM4ETSHR

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
CN-1886389-B Quinoxaline compounds JANSSEN PHARMACEUTICA NV 2010-07-21 CN disclosed
CN-1886389-A Quinoxaline compounds JANSSEN PHARMACEUTICA NV (BE) 2006-12-27 CN 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 (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3B 113/4885HTR3A 153/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3B 113/4885HTR3A 153/4885

“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.