SCHEMBL15919015

SCHEMBL15919015

Cc1ccc(C(C)CC(N)=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1G O43497 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CYP2C19 P33261 1/20 0.38
ACHE P22303 1/20 0.38
ATM Q13315 1/20 0.36
GRM1 Q13255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 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
SCHEMBL26195059 0.84 TDP1 (0.40) MEN1KMT2ACACNA1GCACNA2D1CACNA1B
SCHEMBL5670574 0.84 ATM (0.46) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL363392 0.79 NR3C2 (0.47) LMNAMEN1KMT2ACYP2C19CYP1A2
SCHEMBL31238982 0.78 CACNA2D1 (0.52) LMNAMEN1KMT2ACACNA1GCACNA2D1
SCHEMBL14677924 0.78 CACNA2D1 (0.52) LMNAMEN1KMT2ACACNA1GCACNA2D1
SCHEMBL22643457 0.76 EPHX1 (0.42) SLC6A2KMT2ATDP1
SCHEMBL20738712 0.76 TRPA1 (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL12883148 0.74 ACHE (0.65) LMNACYP2C19ACHEALDH1A1HTT
SCHEMBL12820087 0.74 ACHE (0.65) LMNACYP2C19ACHEALDH1A1HTT
SCHEMBL12883156 0.74 ACHE (0.65) LMNACYP2C19ACHEALDH1A1HTT

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 TRPA1 467/4885LMNA 701/4885CHRM1 1434/4885

“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.