SCHEMBL10152007

SCHEMBL10152007

CNC(=O)O[C@@H](C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
LPAR1 Q92633 3/20 0.49
LPAR3 Q9UBY5 2/20 0.49
OPRM1 P35372 3/20 0.47
ALDH1A1 P00352 2/20 0.46
ACHE P22303 2/20 0.46
NAAA Q02083 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
SLC6A3 Q01959 1/20 0.42
BCHE P06276 1/20 0.42
KLK7 P49862 1/20 0.41

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
SCHEMBL8290955 1.00 HCAR2 (0.54) HCAR2LPAR1LPAR3OPRM1ALDH1A1
SCHEMBL12125431 1.00 HCAR2 (0.54) HCAR2LPAR1LPAR3OPRM1ALDH1A1
SCHEMBL10125211 0.83 HCAR2 (0.53) HCAR2LPAR1LPAR3OPRM1ALDH1A1
SCHEMBL10592352 0.83 HCAR2 (0.53) HCAR2LPAR1LPAR3OPRM1ALDH1A1
SCHEMBL23130383 0.83 HCAR2 (0.53) HCAR2LPAR1LPAR3OPRM1ALDH1A1
SCHEMBL23306508 0.83 CYP1A2 (0.47) ALDH1A1NAAALMNA
SCHEMBL10125207 0.83 HCAR2 (0.53) HCAR2LPAR1LPAR3OPRM1ALDH1A1
SCHEMBL15912310 0.83 HCAR2 (0.53) HCAR2LPAR1LPAR3OPRM1ALDH1A1
SCHEMBL21798509 0.81 FFAR2 (0.53) ALDH1A1NAAAKMT2ASLC6A3
SCHEMBL21447183 0.81 HCAR2 (0.51) HCAR2LPAR1LPAR3OPRM1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273780-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-8058300-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 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 (2 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-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HCAR2 24/4885LPAR1 1/4885LPAR3 5/4885
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HCAR2 24/4885LPAR1 1/4885LPAR3 5/4885

“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.