SCHEMBL14035938

SCHEMBL14035938

CCOCc1cc2ccccc2s1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.64
CYP2A6 P11509 4/20 0.55
ASIC3 Q9UHC3 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
ADRB2 P07550 1/20 0.54
CHRNA7 P36544 1/20 0.47
ADRA1D P25100 2/20 0.45
DPP4 P27487 1/20 0.41
IDH1 O75874 1/20 0.40
APP P05067 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
SCHEMBL5319433 0.89 AGXT (0.72) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL3150291 0.81 AGXT (0.68) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL5935789 0.81 AGXT (0.54) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL10736150 0.79 AGXT (0.65) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL3413507 0.79 CYP2A6 (0.64) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL2088811 0.78 AGXT (0.68) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL13760611 0.77 AGXT (0.62) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL6963172 0.76 CYP2A6 (0.60) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL7340276 0.76 CYP2A6 (0.60) AGXTCYP2A6ASIC3LOXL2ADRB2
SCHEMBL14106986 0.75 AGXT (0.58) AGXTCYP2A6ASIC3LOXL2ADRB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 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 (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-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 AGXT 4644/4885CYP2A6 1401/4885ASIC3 219/4885

“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.