SCHEMBL405575

SCHEMBL405575

Cc1ccc2c(c1)nc(N1CCN(C)CC1)n1nc(C)nc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.55
PDE10A Q9Y233 1/20 0.49
TP53 P04637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
THRB P10828 1/20 0.42
ADRB2 P07550 1/20 0.41

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
SCHEMBL404714 0.90 HRH4 (0.55) HRH4PDE10ATP53KDM4ENPC1
SCHEMBL404534 0.87 HRH4 (0.53) HRH4PDE10ATP53KDM4EALDH1A1
SCHEMBL404518 0.87 HRH4 (0.62) HRH4KDM4EHTR3A
SCHEMBL12224166 0.86 HRH4 (0.56) HRH4PDE10ATP53HTR3ATHRB
SCHEMBL439649 0.84 PDE10A (0.53) HRH4PDE10ATP53KDM4EHTR3E
SCHEMBL404546 0.82 HRH4 (0.61) HRH4KDM4EHTR3EHTR3BHTR3A
SCHEMBL404644 0.82 HRH4 (0.55) HRH4PDE10ATP53HTR3EHTR3B
SCHEMBL404917 0.80 HRH4 (0.53) HRH4TP53HTR3EHTR3BHTR3A
SCHEMBL405768 0.80 HRH4 (0.65) HRH4PDE10AKDM4EALDH1A1CASP1
SCHEMBL404669 0.80 HRH4 (0.59) HRH4PDE10ATP53KDM4EHTR3E

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 1/4885PDE10A 4079/4885TP53 3565/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885PDE10A 4079/4885TP53 3565/4885

“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.