SCHEMBL737633

SCHEMBL737633

CC(C)(C)[C@@H](C(N)=O)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RIPK1 Q13546 2/20 0.43
TRPM8 Q7Z2W7 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
EPHX1 P07099 1/20 0.40
RECQL P46063 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
SCHEMBL13859223 0.87 MEN1 (0.51) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL15855771 0.83 KMT2A (0.47) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL347067 0.78 MEN1 (0.57) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL27171238 0.78 MEN1 (0.57) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL838272 0.78 MEN1 (0.57) MEN1KMT2AL3MBTL1LMNAALDH1A1
Carbamic Acid SCHEMBL7116890 0.76 KMT2A (0.69) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL13167408 0.76 KMT2A (0.69) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL27171227 0.75 MEN1 (0.50) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL27171232 0.75 MEN1 (0.50) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL3464086 0.75 ALDH1A1 (0.51) MEN1KMT2AL3MBTL1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US disclosed
US-20110028447-A1 INDAZOLE DERIVATIVES PFIZER INC. 2011-02-03 US disclosed
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 EP disclosed
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 US disclosed
EP-2114897-A2 BENZIMIDAZOLONE DERIVATIVES Pfizer Products Inc. (US) 2009-11-11 EP disclosed
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS ANDO KAZUO 2009-07-16 US disclosed
WO-2008032164-A2 BENZIMIDAZOLONE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
EP-1861377-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS Pfizer, Inc. (US) 2007-12-05 EP disclosed
WO-2006097808-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER JAPAN INC. (JP) 2006-09-21 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 (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-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES TRPV1, CNR1, CNR2 MEN1 2819/4885KMT2A 4384/4885L3MBTL1 3497/4885
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS TRPV1, CNR1, CNR2 MEN1 3613/4885KMT2A 4607/4885L3MBTL1 3554/4885
US-20110028447-A1 INDAZOLE DERIVATIVES CNR1, CNR2, GPR119 MEN1 1806/4885KMT2A 3459/4885L3MBTL1 3518/4885

“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.