SCHEMBL6884856

SCHEMBL6884856

CN1CCC(F)(c2ccccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
OPRM1 P35372 2/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
HRH3 Q9Y5N1 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
SPR P35270 1/20 0.38
KDM1A O60341 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CCR1 P32246 1/20 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
SCHEMBL29791494 0.83 GRIN1 (0.46) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL25433453 0.83 CCR1 (0.44) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL8496962 0.83 OPRM1 (0.61) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL16549574 0.82 GRIN1 (0.42) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL6926738 0.81 GRIN1 (0.46) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL16546694 0.80 CCR1 (0.41) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL18711309 0.80 ALDH1A1 (0.57) OPRM1OPRD1OPRK1OPRL1CHRM4
SCHEMBL29730766 0.80 GRIN1 (0.51) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL13447345 0.78 GRIN1 (0.54) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL29730787 0.78 GRIN1 (0.54) GRIN1GRIN2AGRIN2BOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515656-B1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-08-06 EP disclosed
US-8383638-B2 Aminobenzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-02-26 US disclosed
US-8383638-B2 Aminobenzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-02-26 US disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 US disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 US disclosed
WO-2011084371-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, MTNR1B GRIN1 66/4885GRIN2A 76/4885GRIN2B 25/4885

“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.