SCHEMBL9893035

SCHEMBL9893035

CC(=O)Nc1cc(C(C)(C)CO)on1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.51
HPGD P15428 1/20 0.46
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDR P35968 1/20 0.44
MAPK14 Q16539 4/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 2/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BRAF P15056 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIK3CG P48736 1/20 0.40

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
SCHEMBL18763512 0.87 EGFR (0.51) EGFRHPGDNPC1RAB9AMEN1
SCHEMBL12155319 0.86 EGFR (0.50) EGFRHPGDNPC1RAB9AMEN1
SCHEMBL9891820 0.84 EGFR (0.49) EGFRHPGDNPC1RAB9AMEN1
SCHEMBL9893113 0.84 EGFR (0.56) EGFRHPGDNPC1RAB9AMEN1
SCHEMBL9893025 0.83 EGFR (0.48) EGFRHPGDNPC1RAB9AMEN1
SCHEMBL4112548 0.83 EGFR (0.66) EGFRHPGDNPC1RAB9AMEN1
SCHEMBL9416888 0.78 EGFR (0.47) EGFRHPGDNPC1RAB9AMEN1
SCHEMBL28467424 0.77 EGFR (0.48) EGFRHPGDNPC1RAB9AMEN1
SCHEMBL770045 0.77 RAF1 (0.50) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL1256289 0.76 GAPDH (0.51) EGFRHPGDNPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
EP-2342200-B1 Compounds which selectively modulate the cb2 receptor BOEHRINGER INGELHEIM INT (DE) 2013-01-23 EP disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010036630-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 896/4885HPGD 496/4885NPC1 1779/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 970/4885HPGD 601/4885NPC1 1904/4885

“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.