SCHEMBL405576

SCHEMBL405576

CB(O)N1CCN(c2nc3ccc(C)cc3n3ccnc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.52
HTR3B O95264 3/20 0.52
HTR3A P46098 3/20 0.52
HTR3D Q70Z44 3/20 0.52
HTR3C Q8WXA8 3/20 0.52
IKBKB O14920 1/20 0.51
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 6/20 0.44
TP53 P04637 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 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
SCHEMBL406616 0.91 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13334840 0.85 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL405145 0.85 HTR3E (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL406113 0.81 IKBKB (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL406219 0.80 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13334832 0.79 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL404109 0.72 HTR3A (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2470519 0.72 HTR3E (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL405158 0.72 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13077027 0.70 IKBKB (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 71/4885HTR3B 113/4885HTR3A 153/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR3E 71/4885HTR3B 113/4885HTR3A 153/4885

“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.