SCHEMBL405866

SCHEMBL405866

Cc1nc2c3cc(F)c(C)cc3nc(N3CCN(C)CC3)n2n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.53
SOS1 Q07889 1/20 0.40
THRB P10828 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
TP53 P04637 2/20 0.37
TRPV4 Q9HBA0 2/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL404917 0.95 HRH4 (0.53) HRH4SOS1THRBHTR3EHTR3B
SCHEMBL404644 0.92 HRH4 (0.55) HRH4SOS1THRBHTR3EHTR3B
SCHEMBL406287 0.86 HRH4 (0.54) HRH4SOS1
SCHEMBL462916 0.86 HRH4 (0.49) HRH4SOS1THRBHTR3EHTR3B
SCHEMBL12224915 0.85 HRH4 (0.51) HRH4SOS1THRBHTR3EHTR3B
SCHEMBL2468578 0.85 HRH4 (0.51) HRH4SOS1THRBHTR3EHTR3B
SCHEMBL404547 0.85 HRH4 (0.57) HRH4SOS1THRBHTR3EHTR3B
SCHEMBL405884 0.85 HRH4 (0.59) HRH4SOS1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL440067 0.85 HRH4 (0.48) HRH4SOS1THRBHTR3EHTR3B
SCHEMBL12224708 0.84 HRH4 (0.50) HRH4SOS1HTR3EHTR3BHTR3A

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 1/4885SOS1 3564/4885THRB 790/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885SOS1 3564/4885THRB 790/4885

“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.