SCHEMBL9892787

SCHEMBL9892787

CCC(=O)Nc1cc(C(C)(C)COC)on1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.52
BRAF P15056 1/20 0.46
HPGD P15428 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAF1 P04049 1/20 0.40
POLB P06746 1/20 0.40
MAPK14 Q16539 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
EPHX2 P34913 2/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL9893025 0.86 EGFR (0.48) EGFRBRAFHPGDNPC1RAB9A
SCHEMBL9891531 0.84 EGFR (0.47) EGFRBRAFHPGDNPC1RAB9A
SCHEMBL9893113 0.84 EGFR (0.56) EGFRBRAFHPGDNPC1RAB9A
SCHEMBL10817868 0.83 BRAF (0.48) EGFRBRAFNPC1RAB9AMEN1
SCHEMBL12566507 0.83 EGFR (0.46) EGFRBRAFHPGDNPC1RAB9A
SCHEMBL9891816 0.83 EGFR (0.46) EGFRBRAFHPGDNPC1RAB9A
SCHEMBL4102589 0.82 EGFR (0.74) EGFRHPGDNPC1RAB9AMEN1
SCHEMBL26789821 0.78 EGFR (0.55) EGFRHPGDNPC1RAB9AMEN1
SCHEMBL1012213 0.77 RAF1 (0.48) EGFRBRAFNPC1RAB9AMEN1
SCHEMBL9892893 0.77 CNR2 (0.55) BRAFRAF1MAPK14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
EP-2342200-B1 Compounds which selectively modulate the cb2 receptor BOEHRINGER INGELHEIM INT (DE) 2013-01-23 EP disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (1 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 500/4885BRAF 4446/4885HPGD 803/4885

“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.