SCHEMBL8012172

SCHEMBL8012172

CCc1nc(CC)n(C)n1

nearest known ligand 0.30

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.30
PDE10A Q9Y233 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
TDP2 O95551 1/20 0.30
ABL1 P00519 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
MPI P34949 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
DUSP3 P51452 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 1/20 0.30
CASP9 P55211 1/20 0.30
CASP6 P55212 1/20 0.30
RIN1 Q13671 1/20 0.30
CASP8 Q14790 1/20 0.30

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
SCHEMBL12344045 0.75
SCHEMBL9344679 0.73 LMNA (0.31)
Hydrochloric Acid SCHEMBL960244 0.71 GAA (0.32) GAA
SCHEMBL16726617 0.70 LMNA (0.33) GAASMN1; SMN2
SCHEMBL12251585 0.70 AOC3 (0.33)
SCHEMBL12309740 0.70
SCHEMBL17132892 0.70 HTR2C (0.32)
SCHEMBL21451063 0.70 TSHR (0.31)
SCHEMBL21451158 0.70 KMT2A (0.32)
SCHEMBL12341103 0.69 MEN1 (0.32) KDM4ENPC1TDP2ABL1POLB

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-2252151-B1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-05-14 EP disclosed
US-8288409-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-8288409-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
US-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
WO-2009102574-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-08-20 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-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 GAA 1623/4885PDE10A 786/4885KDM4E 1790/4885

“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.