SCHEMBL6890111

SCHEMBL6890111

CCN1CCN(c2ccc(C(F)(F)F)nc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.54
PPARD Q03181 1/20 0.51
PPARA Q07869 1/20 0.51
GAA P10253 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
RAD52 P43351 2/20 0.49
GFER P55789 1/20 0.49
CHRNA7 P36544 1/20 0.47
KDM2B Q8NHM5 1/20 0.46
CYP3A4 P08684 3/20 0.45
CTSC P53634 1/20 0.44
SYK P43405 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 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
SCHEMBL20224118 0.86 GAA (0.50) DHFRPPARDPPARAGAAKDM4E
SCHEMBL13447351 0.83 DHFR (0.58) DHFRPPARDPPARAGAAKDM4E
SCHEMBL1270114 0.80 DHFR (0.58) DHFRPPARDPPARAMAPTSMN1; SMN2
SCHEMBL14823845 0.79 DHFR (0.49) DHFRPPARDPPARACYP3A4HRH3
SCHEMBL24008587 0.79 DHFR (0.57) DHFRPPARDPPARAMAPTSMN1; SMN2
SCHEMBL20382071 0.79 PPARD (0.55) PPARDPPARAKDM4EMAPTSMN1; SMN2
SCHEMBL12042004 0.78 PPARD (0.53) DHFRPPARDPPARAGAACYP3A4
SCHEMBL6889419 0.78 GAA (0.54) GAAKDM4EMAPTSMN1; SMN2RAD52
SCHEMBL382533 0.77 PPARD (0.53) DHFRPPARDPPARAGAACYP3A4
Lithium Ion SCHEMBL9985376 0.77 PPARD (0.50) DHFRPPARDPPARAGAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-8754220-B2 Quinolizidinone carboxamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-09-13 US disclosed
US-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-09-13 US disclosed
WO-2011062853-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-05-26 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-20120232076-A1 QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, CHRM4 DHFR 3785/4885PPARD 279/4885PPARA 403/4885

“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.