SCHEMBL404705

SCHEMBL404705

Cc1nc2c3c(F)c(C)ccc3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.45
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SOS1 Q07889 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV4 Q9HBA0 1/20 0.34
ACVR1 Q04771 1/20 0.34
PDE10A Q9Y233 1/20 0.34

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
SCHEMBL462645 0.86 HRH4 (0.42) HRH4HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL439832 0.85 HRH4 (0.41) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL12225096 0.83 HRH4 (0.46) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL404853 0.76 PDE10A (0.38) PDE10A
SCHEMBL405866 0.75 HRH4 (0.53) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL404917 0.75 HRH4 (0.53) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL404534 0.75 HRH4 (0.53) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL404714 0.74 HRH4 (0.55) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL404644 0.74 HRH4 (0.55) HRH4HTR3EHTR3BHTR3AHTR3D
SCHEMBL405768 0.72 HRH4 (0.65) HRH4HTR3AKDM4EALDH1A1PDE10A

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 2 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

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 1/4885HTR3E 71/4885HTR3B 113/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3E 71/4885HTR3B 113/4885

“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.