SCHEMBL157235

SCHEMBL157235

CCOC(=O)C1CNCC(Cc2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CCR8 P51685 1/20 0.41

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
SCHEMBL176163 0.87 ALDH1A1 (0.46) PKMNPSR1MAPTALDH1A1HSD17B10
SCHEMBL23121296 0.86 CHRNB2 (0.44) NPSR1MAPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL3541508 0.86 L3MBTL1 (0.53) L3MBTL1PKMNPSR1ALDH1A1HSD17B10
SCHEMBL15043257 0.82 GBA1 (0.44) MEN1KMT2A
SCHEMBL9510110 0.82 GBA1 (0.46) L3MBTL1MEN1KMT2A
SCHEMBL27671688 0.80 PKM (0.46) L3MBTL1PKMNPSR1MAPTALDH1A1
SCHEMBL5523733 0.79 L3MBTL1 (0.59) L3MBTL1PKMNPSR1ALDH1A1NPC1
SCHEMBL5523736 0.79 L3MBTL1 (0.59) L3MBTL1PKMNPSR1ALDH1A1NPC1
SCHEMBL176162 0.78 PKM (0.50) L3MBTL1PKMNPSR1ALDH1A1HSD17B10
SCHEMBL69190 0.76 MAPT (0.43) MAPTALDH1A1MEN1KMT2A

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
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8946216-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
EP-2613782-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-17 EP disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
US-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-06-20 US disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 WO disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 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 (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-20130158020-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 L3MBTL1 3303/4885PKM 1288/4885NPSR1 3150/4885

“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.