SCHEMBL14930805

SCHEMBL14930805

CC(=O)C(=O)NC(C)c1ccc(C)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 2/20 0.44
▸ LMNA P02545 4/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ CACNB1 Q02641 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ NPC1 O15118 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
SCHEMBL10315765 0.84 GPR139 (0.46) GPR139LMNAKMT2AMEN1ALDH1A1
SCHEMBL10315769 0.84 MEN1 (0.45) LMNAKMT2AMEN1ALDH1A1TAS1R3
SCHEMBL23122244 0.78 GPR139 (0.50) GPR139LMNAKMT2AMEN1ALDH1A1
SCHEMBL29757896 0.78 GPR139 (0.50) GPR139LMNAKMT2AMEN1ALDH1A1
SCHEMBL23122246 0.78 GPR139 (0.50) GPR139LMNAKMT2AMEN1ALDH1A1
SCHEMBL10315770 0.75 L3MBTL1 (0.45) GPR139LMNAALDH1A1TAS1R3TAS1R1
Acetone SCHEMBL9668686 0.74 TRPA1 (0.45) LMNAKMT2AMEN1TRPA1CHRM1
SCHEMBL8285948 0.72 HTR2A (0.46) GPR139LMNATRPA1CHRM1SLC6A2
SCHEMBL8285947 0.72 HTR2A (0.46) GPR139LMNATRPA1CHRM1SLC6A2
SCHEMBL178621 0.72 HTR2A (0.46) GPR139LMNATRPA1CHRM1SLC6A2

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-20130116169-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-09 — — 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-20130116169-A1 INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE SERPINB1, PRSS1, SPINT2 GPR139 4694/4885LMNA 1651/4885KMT2A 2411/4885

“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.

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