SCHEMBL406085

SCHEMBL406085

COc1ccc(Cn2cc3c(n2)c(N2CCN(C)CC2)nc2ccc(C)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.46
TLR7 Q9NYK1 1/20 0.43
MAPT P10636 2/20 0.40
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
HRH1 P35367 1/20 0.39

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
SCHEMBL406440 0.90 HRH4 (0.57) HRH4TLR7
SCHEMBL462516 0.87 HRH4 (0.43) HRH4TLR7MAPTMCHR1KDM4E
SCHEMBL404931 0.81 POLB (0.44) MAPTKDM4EALDH1A1TP53POLB
SCHEMBL405909 0.78 HRH4 (0.57) HRH4KDM4EALDH1A1ACHETP53
SCHEMBL405900 0.76 TLR9 (0.50) HRH4TLR7MAPTTP53
SCHEMBL13724640 0.74 MAT2A (0.45) MAPTKDM4E
SCHEMBL14330963 0.73 MAT2A (0.45) MAPTKDM4EALDH1A1TP53POLB
SCHEMBL404911 0.72 MAT2A (0.50) HRH4KDM4EALDH1A1POLB
SCHEMBL13724429 0.70 APP (0.44) MAPT
SCHEMBL13724042 0.70 MAPT (0.44) MAPTKDM4EALDH1A1TP53POLB

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 1/4885TLR7 320/4885MAPT 2336/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885TLR7 320/4885MAPT 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.