SCHEMBL1987668

SCHEMBL1987668

CC(NC(=O)c1coc(-c2ccc(Cl)c(Cl)c2)n1)c1cc(F)c(NS(C)(=O)=O)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
SCN9A Q15858 2/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC6 Q9UBN7 4/20 0.38
PDE2A O00408 5/20 0.38
ABL1 P00519 1/20 0.38
EIF4E P06730 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
APP P05067 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
SCHEMBL12697452 1.00 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL13513987 0.91 PDE2A (0.42) TRPV1SCN9APDE2AABL1
SCHEMBL1988672 0.91 PDE2A (0.42) TRPV1SCN9APDE2AABL1
SCHEMBL12697450 0.88 ADRB2 (0.41) TRPV1HDAC1HDAC8HDAC6PDE2A
SCHEMBL1987151 0.88 ADRB2 (0.41) TRPV1HDAC1HDAC8HDAC6PDE2A
SCHEMBL12697479 0.88 HDAC1 (0.38) TRPV1HDAC1HDAC8HDAC6PDE2A
SCHEMBL1986141 0.88 HDAC1 (0.38) TRPV1HDAC1HDAC8HDAC6PDE2A
SCHEMBL1988501 0.87 HDAC1 (0.53) HDAC1HDAC8HDAC6PDE2A
SCHEMBL12604749 0.87 HDAC1 (0.53) HDAC1HDAC8HDAC6PDE2A
SCHEMBL12603913 0.87 HDAC1 (0.49) HDAC1HDAC8HDAC6PDE2A

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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 CYP1A2 1432/4885CYP2C9 785/4885CYP2C19 644/4885

“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.