SCHEMBL6909950

SCHEMBL6909950

Cn1ccc2c(CO)ccnc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ NOTUM Q6P988 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CAMKK1 Q8N5S9 1/20 0.37
▸ CAMKK2 Q96RR4 1/20 0.37
▸ FEN1 P39748 1/20 0.35
▸ DYRK1A Q13627 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ MAOA P21397 1/20 0.33

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
SCHEMBL15077816 0.86 NOTUM (0.38) KDM4ELMNATP53MAPTTSHR
SCHEMBL4569763 0.84 NOTUM (0.41) KDM4ENOTUMHTTCAMKK1CAMKK2
SCHEMBL4569776 0.82 NOTUM (0.37) NOTUMCAMKK1CAMKK2DYRK1AABL1
SCHEMBL31083856 0.80 NOTUM (0.43) NOTUML3MBTL1CAMKK1CAMKK2FEN1
SCHEMBL17162014 0.79 KDM4E (0.44) KDM4ELMNATP53MAPTTSHR
SCHEMBL6910469 0.79 MAPT (0.44) KDM4ELMNATP53MAPTTSHR
SCHEMBL15687434 0.76 LMNA (0.41) KDM4ELMNATP53MAPTTSHR
SCHEMBL20674217 0.76 NOTUM (0.40) KDM4ELMNATP53MAPTTSHR
SCHEMBL13044512 0.75 DYRK1A (0.47) KDM4ELMNATP53MAPTTSHR
SCHEMBL3799730 0.75 NOTUM (0.38) KDM4ELMNATP53NOTUMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260418-B2 Pyranyl aryl methyl benzoquinolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2016-02-16 — — US disclosed
EP-2915812-A1 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators Merck Sharp & Dohme Corp. (US) 2015-09-09 — — EP disclosed
EP-2915812-A1 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators Merck Sharp & Dohme Corp. (US) 2015-09-09 — — EP disclosed
EP-2473048-B1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-03-25 — — EP disclosed
EP-2473048-B1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-03-25 — — EP disclosed
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME (US) 2014-12-11 — — US disclosed
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME (US) 2014-12-11 — — US disclosed
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME (US) 2014-12-11 — — US disclosed
US-8846702-B2 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
US-8846702-B2 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
US-8846702-B2 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
US-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP (US) 2012-06-21 — — US disclosed
US-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP (US) 2012-06-21 — — US disclosed
US-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP (US) 2012-06-21 — — US disclosed
WO-2011025851-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-03-03 — — 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 (2 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-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, OPRL1 KDM4E 841/4885LMNA 4187/4885TP53 3881/4885
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, CHRM2 KDM4E 921/4885LMNA 4101/4885TP53 3720/4885

“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.

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