SCHEMBL462840

SCHEMBL462840

CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2NN)CC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.64
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
GLP1R P43220 1/20 0.43
PGK1 P00558 3/20 0.42

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
SCHEMBL463644 0.91 HRH4 (0.53) HRH4HTR3BHTR3APGK1
SCHEMBL462744 0.87 HRH4 (0.50) HRH4HTR3BHTR3APGK1
SCHEMBL14828758 0.85 HRH4 (0.48) HRH4HTR3BHTR3A
SCHEMBL463013 0.81 HRH4 (0.45) HRH4HTR3BHTR3A
SCHEMBL405806 0.80 HRH4 (0.73) HRH4HTR3BHTR3AGLP1R
SCHEMBL30223251 0.80 HRH4 (0.73) HRH4HTR3BHTR3AGLP1R
SCHEMBL14829413 0.79 HRH4 (0.50) HRH4HTR3A
SCHEMBL438697 0.78 KDM4E (0.54) HRH4HTR3BHTR3A
SCHEMBL463512 0.78 HRH4 (0.43) HRH4HTR3BHTR3A
SCHEMBL29187249 0.77 HRH4 (0.69) HRH4HTR3BHTR3AGLP1R

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
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3B 113/4885HTR3A 153/4885
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.