SCHEMBL896940

SCHEMBL896940

CCOC(=O)C1CC1c1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PRNP P04156 1/20 0.46
PDE10A Q9Y233 8/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.41
PKM P14618 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
SCHEMBL901914 1.00 TRPM5 (0.47) TRPM5KMT2AMEN1PRNPPDE10A
SCHEMBL2136749 1.00 TRPM5 (0.47) TRPM5KMT2AMEN1PRNPPDE10A
SCHEMBL901478 1.00 TRPM5 (0.47) TRPM5KMT2AMEN1PRNPPDE10A
SCHEMBL16278689 0.85 TRPM5 (0.54) TRPM5KMT2AMEN1PDE10AALDH1A1
SCHEMBL16283864 0.85 TRPM5 (0.54) TRPM5KMT2AMEN1PDE10AALDH1A1
SCHEMBL16278692 0.85 TRPM5 (0.54) TRPM5KMT2AMEN1PDE10AALDH1A1
SCHEMBL14061648 0.84 PDE10A (0.40) PDE10AALDH1A1MAPT
SCHEMBL10086282 0.84 PDE10A (0.40) PDE10AALDH1A1MAPT
SCHEMBL16278801 0.82 KMT2A (0.46) KMT2AMEN1PRNPPDE10AL3MBTL1
SCHEMBL16278799 0.82 KMT2A (0.46) KMT2AMEN1PRNPPDE10AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621926-B1 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2017-08-30 EP disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
EP-2714041-B1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP disclosed
EP-2748151-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2016-03-16 EP disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-9062059-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-8975261-B2 Aryloxmethyl cyclopropane derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8957077-B2 Pyrazolopyrimidine PDE 10 inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-20140336195-A1 ARYLOXMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-11-13 US disclosed
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME LLC 2014-08-14 US disclosed
CN-103917528-A Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME 2014-07-09 CN disclosed
EP-2748151-A1 PYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-07-02 EP disclosed
EP-2621926-A2 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-08-07 EP disclosed
US-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS MERCK SHARP & DOHME LLC 2013-05-30 US disclosed
WO-2013028590-A1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-02-28 WO disclosed
WO-2012162213-A1 ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-11-29 WO disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 US disclosed
WO-2012044562-A2 PYRAZOLOPYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-04-05 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 (5 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-20130137707-A1 PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS PDE12, PDE5A, PDE4A TRPM5 2074/4885KMT2A 1809/4885MEN1 4648/4885
US-20140228368-A1 PYRIMIDINE PDE10 INHIBITORS PDE12, PDE10A, PDE11A TRPM5 2911/4885KMT2A 2114/4885MEN1 4715/4885
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H TRPM5 83/4885KMT2A 1764/4885MEN1 3635/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H TRPM5 83/4885KMT2A 1762/4885MEN1 3656/4885
US-20140336195-A1 ARYLOXMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS PDE10A, PDE12, PDE4A TRPM5 3377/4885KMT2A 1740/4885MEN1 4843/4885

“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.