SCHEMBL406090

SCHEMBL406090

CCOC(CNc1nc2cc(Cl)c(F)cc2nc1N1CCN(B(C)O)CC1)OCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 16/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PGK1 P00558 1/20 0.33
HRH4 Q9H3N8 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL406105 0.83 HRH4 (0.44) GPR6HRH4
SCHEMBL405149 0.81 PGK1 (0.45) GPR6PGK1
SCHEMBL406092 0.77 HRH4 (0.42) GPR6CYP11B1CYP11B2HRH4
SCHEMBL462846 0.71 PGK1 (0.47) PGK1
SCHEMBL13334835 0.68 CYP11B1 (0.35) GPR6CYP11B1CYP11B2CYP2D6
SCHEMBL14829040 0.68 HRH4 (0.44) HRH4
SCHEMBL406219 0.67 HTR3E (0.51) CYP11B1CYP11B2HRH4
SCHEMBL405647 0.67 HRH4 (0.41) CYP11B1CYP11B2HRH4CYP2D6
SCHEMBL13334888 0.67 GPR6 (0.34) GPR6CYP11B1CYP11B2CYP2D6
SCHEMBL14828801 0.67 GPR6 (0.37) GPR6HRH4

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 3 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

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 GPR6 261/4885CYP11B1 3134/4885CYP11B2 2878/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GPR6 261/4885CYP11B1 3134/4885CYP11B2 2878/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GPR6 261/4885CYP11B1 3134/4885CYP11B2 2878/4885

“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.