SCHEMBL6884684

SCHEMBL6884684

Cc1nonc1N1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.60
HRH4 Q9H3N8 8/20 0.44
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL2204264 0.79 ALOX15 (0.41) ALOX15CYP2C19MEN1KMT2ALMNA
SCHEMBL13931121 0.78 HTR2C (0.41) HRH4CYP3A4CYP1A2
SCHEMBL3045605 0.75 ALOX15 (1.00) ALOX15HRH4CYP2C19KMT2ALMNA
SCHEMBL10386301 0.70 HRH4 (0.61) ALOX15HRH4MEN1KMT2ACYP1A2
SCHEMBL604298 0.67 HRH4 (0.53) HRH4
SCHEMBL2166511 0.67 HRH4 (0.53) ALOX15HRH4
SCHEMBL604185 0.64 HRH4 (0.51) HRH4
SCHEMBL19446710 0.64 HRH4 (0.51) ALOX15HRH4MEN1KMT2ATSHR
SCHEMBL17622695 0.64 HRH4 (0.51) HRH4CYP2D6CYP3A4CYP2C19MEN1
SCHEMBL27306269 0.64 ALOX15 (0.43) ALOX15HRH4CYP2D6CYP3A4CYP2C19

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 ALOX15 930/4885HRH4 207/4885CYP2D6 421/4885

“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.