SCHEMBL462516

SCHEMBL462516

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.43
MAPT P10636 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2C P28335 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40

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
SCHEMBL406085 0.87 HRH4 (0.46) HRH4MAPTTLR7KDM4ETP53
SCHEMBL406440 0.87 HRH4 (0.57) HRH4TLR7HTR3A
SCHEMBL463581 0.83 MAPT (0.46) MAPT
SCHEMBL439421 0.80 HRH4 (0.50) HRH4KDM4EHTR3EHTR3BTP53
SCHEMBL405900 0.75 TLR9 (0.50) HRH4MAPTTLR7TP53
SCHEMBL441016 0.72 KDM4E (0.48) HRH4KDM4EHTR3EHTR3BTP53
SCHEMBL13457901 0.72 HRH4 (0.39) HRH4MAPTTLR7KDM4EHTR3E
SCHEMBL463580 0.72 ADORA3 (0.51) MAPT
SCHEMBL13724640 0.71 MAT2A (0.45) MAPTKDM4EMEN1KMT2A
SCHEMBL440133 0.70 HRH4 (0.50) HRH4KDM4EHTR3EHTR3BTP53

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 4 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
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885MAPT 2336/4885TLR7 320/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885MAPT 2336/4885TLR7 320/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885MAPT 2336/4885TLR7 320/4885

“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.