SCHEMBL2434940

SCHEMBL2434940

CN1CCN(c2nc3ccc(Cl)cc3c(N)c2[N+](=O)[O-])CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.55
HTR3A P46098 6/20 0.55
MAPT P10636 2/20 0.49
GPR55 Q9Y2T6 1/20 0.49
RPS6KB1 P23443 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL2434853 0.83 HRH4 (0.65) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL2430448 0.76 ACHE (0.46) MAPTKDM4EALDH1A1HTT
SCHEMBL2447351 0.74 MAPT (0.50) HRH4MAPTGPR55RPS6KB1HTT
SCHEMBL406385 0.72 HRH4 (0.54) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL604257 0.71 HRH4 (1.00) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL12224894 0.71 HRH4 (0.55) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL404836 0.70 HRH4 (0.54) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL405432 0.70 HRH4 (0.57) HRH4HTR3AKDM4EUSP2ALDH1A1
SCHEMBL23234495 0.69 HRH4 (0.60) HRH4HTR3AALDH1A1HRH3
SCHEMBL405258 0.69 HRH4 (0.65) HRH4HTR3AKDM4EUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3A 153/4885MAPT 2336/4885

“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.