SCHEMBL9931084

SCHEMBL9931084

CCn1ccc2c(C=O)ccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
DYRK1A Q13627 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
IDO1 P14902 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGER4 P35408 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PRKCB P05771 1/20 0.31
GSK3B P49841 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL29935784 0.84 CCR1 (0.44) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL31132326 0.84 CCR1 (0.44) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL30064747 0.84 CCR1 (0.44) CCR1CCR5CCR8KDM4EMEN1
SCHEMBL13180257 0.78 DYRK1A (0.37) DYRK1AKDM4ERAB9AKMT2AALDH1A1
SCHEMBL29935619 0.78 CCR1 (0.48) CCR1CCR5CCR8DYRK1AKDM4E
SCHEMBL6909953 0.78 CCR1 (0.48) CCR1CCR5CCR8DYRK1AKDM4E
SCHEMBL23107317 0.76 CCR1 (0.41) CCR1CCR5CCR8DYRK1AKDM4E
SCHEMBL12825336 0.75 DYRK1A (0.37) DYRK1AKMT2APRKCBGSK3BPDE4A
SCHEMBL22071859 0.75 DYRK1A (0.37) DYRK1APDE4BACACB
SCHEMBL12148094 0.75 CCR1 (0.48) CCR1CCR5CCR8KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
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
CN-102480964-B Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME 2015-07-08 CN 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
CN-102480964-A Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME 2012-05-30 CN 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-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CCR1 4401/4885CCR5 4425/4885CCR8 4557/4885
US-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, OPRL1 CCR1 3349/4885CCR5 2361/4885CCR8 4677/4885
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, CHRM2 CCR1 3302/4885CCR5 2242/4885CCR8 4542/4885

“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.