SCHEMBL6936153

SCHEMBL6936153

Cc1nnc(CNC(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRPM5 Q9NZQ8 1/20 0.37
HRH2 P25021 3/20 0.37
HRH1 P35367 3/20 0.37
HRH4 Q9H3N8 3/20 0.37
HRH3 Q9Y5N1 3/20 0.37

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
SCHEMBL4771732 0.86 MME (0.44) MMESMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL15239925 0.80 MME (0.34) MMEALDH1A1
SCHEMBL10801684 0.79 RECQL (0.50) MMERAB9AGAAALDH1A1MAPT
SCHEMBL15939753 0.78 SMN1; SMN2 (0.45) MMESMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL10042081 0.78 GLS (0.43) MMESMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL5545037 0.75 SMN1; SMN2 (0.56) MMESMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL16373614 0.74
SCHEMBL11377833 0.72 SMN1; SMN2 (0.41) MMESMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL2258773 0.71 OGA (0.40) MMESMN1; SMN2RAB9ANPC1TP53
SCHEMBL1398174 0.71 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1L3MBTL1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968324-B1 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-04-18 EP disclosed
US-9353104-B2 Substituted pyridizinone derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
EP-2748151-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-03-16 EP disclosed
US-20160016947-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-01-21 US disclosed
EP-2968324-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-20 EP disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
WO-2014150114-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
WO-2014139150-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-18 WO disclosed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
EP-2748151-A1 PYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-07-02 EP disclosed
WO-2013028590-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
EP-1296938-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE Pfizer Limited (GB) 2003-04-02 EP disclosed
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER, INC. 2002-05-02 US disclosed
WO-2002002513-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE PFIZER LIMITED (GB) 2002-01-10 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-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS PDE12, PDE10A, PDE11A MME 3723/4885SMN1; SMN2 1754/4885RAB9A 394/4885
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase ENGASE, ENPEP, CPN1 MME 7/4885SMN1; SMN2 2805/4885RAB9A 2592/4885
US-20160016947-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS PDE12, PDE5A, PDE10A MME 3550/4885SMN1; SMN2 2261/4885RAB9A 447/4885

“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.