SCHEMBL1661083

SCHEMBL1661083

CCOC(=O)C1CCN(c2ccccc2)C(=O)C1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
ALDH1A1 P00352 6/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
F10 P00742 1/20 0.52
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.50
LGMN Q99538 1/20 0.50

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
SCHEMBL12668076 0.86 HPGD (0.70) NPC1ALDH1A1HPGDL3MBTL1PKM
SCHEMBL8305710 0.85 ALDH1A1 (0.51) NPC1ALDH1A1HPGDNPSR1MAPT
SCHEMBL8305161 0.80 NOTUM (0.54) NPC1ALDH1A1F10MAPTTSHR
SCHEMBL5913512 0.79 MAPT (0.67) NPC1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL15367247 0.78 MEN1 (0.60) NPC1ALDH1A1LMNAMEN1KMT2A
SCHEMBL15374432 0.78 MEN1 (0.60) NPC1ALDH1A1LMNAMEN1KMT2A
SCHEMBL8303940 0.77 ALDH1A1 (0.49) NPC1ALDH1A1HPGDL3MBTL1MEN1
SCHEMBL23692646 0.76 MEN1 (0.52) NPC1ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL6220495 0.76 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL5569272 0.75 HPGD (0.65) NPC1ALDH1A1LMNAHPGDL3MBTL1

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-2490692-B1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-16 EP disclosed
US-8895580-B2 Quinolinone-pyrazolone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
EP-2490692-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
WO-2011049731-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-04-28 WO disclosed
US-5965578-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-10-12 US disclosed
EP-0897303-A4 1999-02-24 EP disclosed
EP-0897303-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-02-24 EP disclosed
WO-1997036605-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 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-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 NPC1 1807/4885ALDH1A1 2640/4885LMNA 4018/4885

“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.