SCHEMBL1003346

SCHEMBL1003346

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
NR1H4 Q96RI1 2/20 0.34
TACR3 P29371 1/20 0.33
DGAT1 O75907 3/20 0.32
SPR P35270 2/20 0.32
HCRTR1 O43613 1/20 0.31
GSK3B P49841 2/20 0.30
DYRK1A Q13627 2/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1003113 0.78 DGAT1 (0.32) DGAT1
SCHEMBL9820886 0.73 KDM1A (0.35) LMNA
SCHEMBL2681956 0.72 GAA (0.31)
SCHEMBL14659014 0.72 FFAR1 (0.42) HCRTR2S1PR1S1PR3TACR3DGAT1
SCHEMBL11700667 0.70 KDM1A (0.51)
SCHEMBL15767640 0.70 KDM1A (0.51)
SCHEMBL1943935 0.70 KDM1A (0.51)
SCHEMBL1003345 0.70 MAPT (0.40) HCRTR2S1PR1S1PR3TACR3NPC1
SCHEMBL3739337 0.70 KDM1A (0.40) LMNA
SCHEMBL7077980 0.70 KDM1A (0.51) LMNA

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 HCRTR2 4/4885S1PR1 181/4885S1PR3 185/4885
US-20110021531-A1 OXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH FAAH, FAAH2, ALOX5 HCRTR2 6/4885S1PR1 140/4885S1PR3 130/4885

“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.