SCHEMBL406116

SCHEMBL406116

Cc1ccc2c(c1)nc(Cl)n1nc(C)nc21

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.55
HAVCR2 Q8TDQ0 5/20 0.45
ADORA3 P0DMS8 2/20 0.41
LMNA P02545 2/20 0.39
C1R P00736 1/20 0.39
ACHE P22303 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL404654 0.88 PDE10A (0.55) PDE10AHAVCR2ADORA3LMNAACHE
SCHEMBL405733 0.88 HAVCR2 (0.55) PDE10AHAVCR2ADORA3LMNA
SCHEMBL31167556 0.85 PDE10A (0.57) PDE10AHAVCR2ADORA3LMNAACHE
SCHEMBL405737 0.85 PDE10A (0.57) PDE10AHAVCR2LMNAACHE
SCHEMBL463601 0.81 PDE10A (0.60) PDE10AHAVCR2LMNAC1RHSD17B10
SCHEMBL406026 0.81 PDE10A (0.41) PDE10AHAVCR2
SCHEMBL7398110 0.81 PDE10A (0.63) PDE10AHAVCR2ADORA3LMNAHSD17B10
SCHEMBL405041 0.78 PDE10A (0.39) PDE10AHAVCR2
SCHEMBL404651 0.78 PDE10A (0.39) PDE10AHAVCR2
SCHEMBL406127 0.78 PDE10A (0.60) PDE10AHAVCR2ADORA3LMNA

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 PDE10A 4079/4885HAVCR2 84/4885ADORA3 277/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 PDE10A 4079/4885HAVCR2 84/4885ADORA3 277/4885

“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.