SCHEMBL14659014

SCHEMBL14659014

O=C(O)[C@H]1C[C@@H]1c1ccc(-c2coc(C3CC3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.42
HCRTR2 O43614 1/20 0.41
NR4A2 P43354 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
FFAR4 Q5NUL3 3/20 0.39
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
TACR3 P29371 1/20 0.36
DGAT1 O75907 1/20 0.36
IDO1 P14902 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL3267276 0.75 RXRA (0.49) FFAR1NR4A2RXRARXRBRXRG
SCHEMBL19399205 0.74 HCRTR2 (0.48) HCRTR2S1PR1S1PR3
SCHEMBL21624720 0.74 FFAR1 (0.59) FFAR1IDO1
SCHEMBL21624718 0.74 FFAR1 (0.59) FFAR1IDO1
SCHEMBL4575792 0.71 RAB9A (0.45) HCRTR2S1PR1S1PR3
SCHEMBL4574780 0.71 S1PR1 (0.39) HCRTR2S1PR1S1PR3TACR3
SCHEMBL366846 0.69 ALDH1A1 (0.56) FFAR1
SCHEMBL6994406 0.69 FFAR1 (0.68) FFAR1NR4A2RXRARXRBRXRG
SCHEMBL7868639 0.69 FFAR1 (0.68) FFAR1NR4A2RXRARXRBRXRG
SCHEMBL14658591 0.68 FFAR1 (0.46) FFAR1FFAR4

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-9045467-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2015-06-02 US disclosed
US-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2014-06-19 US disclosed
EP-2321288-B1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-8673941-B2 Oxazole derivatives useful as inhibitors of FAAH MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS MERCK SHARP & DOHME CORP. 2013-01-31 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 (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-20140171437-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 FFAR1 38/4885HCRTR2 4/4885NR4A2 1486/4885
US-20130030000-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF PAIN AND OTHER INDICATIONS FAAH, FAAH2, CNR2 FFAR1 194/4885HCRTR2 30/4885NR4A2 2796/4885

“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.