SCHEMBL1003345

SCHEMBL1003345

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HCRTR2 O43614 3/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
TACR3 P29371 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL14659014 0.83 FFAR1 (0.42) HCRTR2S1PR1S1PR3TACR3PDE10A
SCHEMBL1003112 0.79 MAPT (0.36) MAPTPKMMEN1KMT2APDE10A
SCHEMBL9820889 0.73 MAPT (0.44) MAPTPKMMEN1KMT2A
SCHEMBL19182180 0.73 MAPT (0.53) MAPTPKMMEN1KMT2A
SCHEMBL2681954 0.73 MAPT (0.40) MAPTPKMMEN1KMT2A
SCHEMBL15235893 0.73 ALDH1A1 (0.55) MAPTPKMMEN1KMT2A
SCHEMBL6082774 0.73 ALDH1A1 (0.55) MAPTPKMMEN1KMT2A
SCHEMBL15977387 0.73 ALDH1A1 (0.55) MAPTPKMMEN1KMT2A
SCHEMBL10692330 0.72 MAPT (0.46) MAPTPKM
SCHEMBL433974 0.71 MAPT (0.47) MAPTPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME LLC 2011-06-16 US disclosed
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK SHARP & DOHME CORP. 2011-01-27 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-20110144119-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 MAPT 1377/4885PKM 281/4885HCRTR2 4/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 MAPT 1378/4885PKM 343/4885HCRTR2 6/4885

“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.