SCHEMBL6883104

SCHEMBL6883104

CN1CCN(c2ccc(C(F)F)nc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
KMT2A Q03164 3/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ADRA2C P18825 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GFER P55789 1/20 0.49
PTK2B Q14289 1/20 0.49
ESR2 Q92731 1/20 0.49
HTR3A P46098 1/20 0.45
MEN1 O00255 1/20 0.45
GLA P06280 1/20 0.45
ADRA2A P08913 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAP4K1 Q92918 1/20 0.43
RPS6KA3 P51812 1/20 0.43

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
SCHEMBL10255132 0.85 MAPT (0.46) MAPTKMT2AGAAALDH1A1ADRA2C
SCHEMBL12173546 0.83 MAPT (0.49) MAPTKMT2AGAAALDH1A1KDM4E
SCHEMBL1766217 0.83 ENPP2 (0.38) MAPTHTR3ASMN1; SMN2
SCHEMBL22159076 0.82 MAPT (0.47) MAPTKMT2AGAAALDH1A1ADRA2C
SCHEMBL21414367 0.81 MAPT (0.43) MAPTKMT2AGAAALDH1A1ADRA2C
SCHEMBL30893590 0.80 CHRNB2 (0.58) ALDH1A1KDM4EHTR3ALMNASIRT6
SCHEMBL1766208 0.80 CHRNB2 (0.58) ALDH1A1KDM4EHTR3ALMNASIRT6
SCHEMBL23707095 0.80 MAPT (0.42) MAPTKMT2AGAAALDH1A1ADRA2C
SCHEMBL21414320 0.80 HRH4 (0.44) MAPTKMT2AGAAALDH1A1ADRA2C
SCHEMBL10256822 0.80 CHKA (0.48) MAPTKMT2AGAAALDH1A1ADRA2C

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 MAPT 574/4885KMT2A 1189/4885GAA 3067/4885

“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.