SCHEMBL405908

SCHEMBL405908

Cc1ccc2nc(N3CCN(C)CC3)c3nncn3c2c1F

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 14/20 0.61
HRH3 Q9Y5N1 7/20 0.61
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ESR1 P03372 1/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR3A P46098 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2462963 0.89 HRH4 (0.61) HRH4HRH3MAPTHPGDKMT2A
SCHEMBL405131 0.87 HRH4 (0.46) HRH4HRH3MAPTTP53HPGD
SCHEMBL440797 0.85 HRH4 (0.55) HRH4HRH3MAPTTP53HPGD
SCHEMBL406072 0.81 HRH4 (0.58) HRH4HRH3HTR3A
SCHEMBL406598 0.79 MAPT (0.50) HRH4HRH3MAPTTP53HPGD
SCHEMBL404250 0.76 HRH4 (0.67) HRH4HRH3MAPTTP53HPGD
SCHEMBL404256 0.76 HRH4 (0.67) HRH4HRH3MAPTTP53HPGD
SCHEMBL404191 0.76 HRH4 (1.00) HRH4HRH3MAPTTP53HPGD
SCHEMBL404286 0.74 HRH4 (0.68) HRH4HRH3HTR3A
SCHEMBL404333 0.74 HRH4 (0.69) HRH4HRH3HPGDHSD17B10KMT2A

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 1/4885HRH3 2/4885MAPT 2336/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885MAPT 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.