SCHEMBL10125211

SCHEMBL10125211

CC(C)NC(=O)O[C@@H](C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.53
HTT P42858 1/20 0.51
LPAR1 Q92633 2/20 0.48
LPAR3 Q9UBY5 1/20 0.48
OPRM1 P35372 3/20 0.46
CTSK P43235 3/20 0.45
NAAA Q02083 1/20 0.45
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL15912310 1.00 HCAR2 (0.53) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL10125207 1.00 HCAR2 (0.53) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL9829305 0.86 HCAR2 (0.50) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL9829311 0.86 HCAR2 (0.50) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL12125431 0.83 HCAR2 (0.54) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL10152007 0.83 HCAR2 (0.54) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL8290955 0.83 HCAR2 (0.54) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL10954718 0.82 HTT (0.49) HCAR2HTTKMT2ARECQLALDH1A1
SCHEMBL9831017 0.82 HCAR2 (0.46) HCAR2HTTLPAR1LPAR3OPRM1
SCHEMBL23130383 0.81 HCAR2 (0.53) HCAR2HTTLPAR1LPAR3OPRM1

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 5 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-20120196839-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2012-08-02 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 (3 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-20120196839-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 HCAR2 32/4885HTT 2653/4885LPAR1 1/4885
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HCAR2 24/4885HTT 3154/4885LPAR1 1/4885
US-20120015991-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HCAR2 24/4885HTT 3154/4885LPAR1 1/4885

“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.