SCHEMBL863899

SCHEMBL863899

[CH2]CCCCCc1cccc(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.59
CHRM1 P11229 2/20 0.59
CHRM3 P20309 2/20 0.59
TAAR1 Q96RJ0 1/20 0.59
HDAC1 Q13547 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
IDO1 P14902 2/20 0.54
AGXT P21549 2/20 0.54
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
SIGMAR1 Q99720 2/20 0.53
AOC3 Q16853 1/20 0.53
ACHE P22303 1/20 0.50

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
SCHEMBL4142939 1.00 CHRM2 (0.59) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL3689085 0.93 CHRM2 (0.63) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL21002124 0.91 TAAR1 (0.69) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL21002162 0.89 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL12630196 0.86 SIGMAR1 (0.66) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL5315445 0.85 TAAR1 (0.67) CHRM2CHRM1CHRM3TAAR1IDO1
SCHEMBL21002016 0.85 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL29986862 0.85 TAAR1 (0.71) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL9796229 0.84 PPARG (0.61) CHRM2CHRM1CHRM3TAAR1HDAC1
SCHEMBL10534527 0.84 PPARG (0.61) CHRM2CHRM1CHRM3TAAR1HDAC1

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-8476302-B2 α-ketoamide derivatives useful endothelial lipase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-02 US claimed
US-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-29 US claimed

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-20120077847-A1 ALPHA-KETOAMIDE DERIVATIVES USEFUL ENDOTHELIAL LIPASE INHIBITORS LIPG, LIPA, LIPE CHRM2 3131/4885CHRM1 3681/4885CHRM3 3344/4885

“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.