SCHEMBL404884

SCHEMBL404884

Cc1ccc2nc(N3CCN(C)CC3)n3nc(C(F)(F)F)nc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.56
HRH4 Q9H3N8 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ACHE P22303 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
ADRA2A P08913 1/20 0.41
HTR2C P28335 1/20 0.41
AXL P30530 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 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
SCHEMBL442228 0.88 DGAT1 (0.45) ADRB2HRH4TP53KDM4EHTR3E
SCHEMBL404658 0.87 ADRB2 (0.57) ADRB2HRH4KDM4EALDH1A1HTR3A
SCHEMBL404714 0.84 HRH4 (0.55) ADRB2HRH4NPC1RAB9ATP53
SCHEMBL12225133 0.80 HRH4 (0.48) ADRB2HRH4NPC1RAB9ATP53
SCHEMBL440877 0.79 HRH4 (0.50) ADRB2HRH4TP53KDM4EHTR3E
SCHEMBL404641 0.78 LMNA (0.41) ADRB2RAB9AKDM4EALDH1A1ADRA2A
SCHEMBL12225267 0.76 HRH4 (0.51) ADRB2HRH4NPC1RAB9ATP53
SCHEMBL12225257 0.75 HRH4 (0.50) ADRB2HRH4NPC1RAB9ATP53
SCHEMBL442312 0.74 SOS1 (0.47) ADRB2HRH4KDM4EALDH1A1HTR3E
SCHEMBL405575 0.74 HRH4 (0.55) ADRB2HRH4NPC1RAB9ATP53

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 ADRB2 571/4885HRH4 1/4885NPC1 2861/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADRB2 571/4885HRH4 1/4885NPC1 2861/4885

“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.