SCHEMBL9893025

SCHEMBL9893025

COCC(C)(C)c1cc(NC(C)=O)no1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.48
BRAF P15056 1/20 0.45
HPGD P15428 1/20 0.43
KDR P35968 1/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.41
RAF1 P04049 1/20 0.41
MAPK14 Q16539 5/20 0.41
EPHX2 P34913 2/20 0.40
MAPK13 O15264 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9891531 0.87 EGFR (0.47) EGFRBRAFHPGDKDRNPC1
SCHEMBL9892787 0.86 EGFR (0.52) EGFRBRAFHPGDNPC1RAB9A
SCHEMBL9891816 0.86 EGFR (0.46) EGFRBRAFHPGDNPC1RAB9A
SCHEMBL10817868 0.86 BRAF (0.48) EGFRBRAFNPC1RAB9AMEN1
SCHEMBL12566507 0.86 EGFR (0.46) EGFRBRAFHPGDNPC1RAB9A
SCHEMBL9893035 0.83 EGFR (0.51) EGFRBRAFHPGDKDRNPC1
SCHEMBL1012213 0.79 RAF1 (0.48) EGFRBRAFNPC1RAB9AMEN1
SCHEMBL4112548 0.79 EGFR (0.66) EGFRHPGDKDRNPC1RAB9A
SCHEMBL13413837 0.76 EGFR (0.42) EGFRBRAFHPGDKDRNPC1
SCHEMBL3709322 0.76 SIRT6 (0.36) EGFRBRAFHPGDNPC1RAB9A

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
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
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
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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 (3 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 896/4885BRAF 3590/4885HPGD 496/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 970/4885BRAF 4098/4885HPGD 601/4885
US-20120010184-A1 Therapeutic Uses of Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 EGFR 971/4885BRAF 4283/4885HPGD 589/4885

“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.