SCHEMBL1808754

SCHEMBL1808754

CC(C)(C)[Si](C)(C)OCCn1ccc2cc(C(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.42
MGLL Q99685 2/20 0.41
CHRNA7 P36544 1/20 0.40
KMT2A Q03164 1/20 0.39
OXTR P30559 2/20 0.39
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 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
SCHEMBL1806602 0.87 HRH3 (0.48) HRH3MGLLKMT2A
SCHEMBL1806794 0.84 HRH3 (0.48) HRH3MGLLCHRNA7KMT2A
SCHEMBL1806615 0.83 HRH3 (0.46) HRH3MGLLCHRNA7KMT2A
SCHEMBL1808760 0.82 HRH3 (0.50) HRH3KMT2AKCNH2MCHR1
SCHEMBL1810819 0.82 HRH3 (0.43) HRH3MGLLCHRNA7KMT2AOXTR
SCHEMBL1806622 0.81 OXTR (0.55) HRH3CHRNA7OXTR
SCHEMBL1809068 0.80 OXTR (0.46) HRH3CHRNA7OXTR
SCHEMBL1807163 0.80 CHRNA7 (0.56) HRH3MGLLCHRNA7KMT2AOXTR
SCHEMBL1807265 0.80 HRH3 (0.48) HRH3MGLLKMT2A
SCHEMBL1808742 0.80 OXTR (0.56) HRH3CHRNA7OXTR

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-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO 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 (1 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B HRH3 1010/4885MGLL 4513/4885CHRNA7 196/4885

“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.