SCHEMBL6369552

SCHEMBL6369552

CCN1CCc2ccc(Cl)cc2C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.55
HTR7 P34969 2/20 0.51
HRH3 Q9Y5N1 2/20 0.50
ASIC3 Q9UHC3 1/20 0.48
DRD2 P14416 4/20 0.48
DRD1 P21728 1/20 0.48
DRD3 P35462 2/20 0.44
ACACB O00763 1/20 0.44
POLB P06746 1/20 0.43
HRH1 P35367 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HTR1A P08908 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL6369521 0.93 PNMT (0.55) PNMTHTR7HRH3ASIC3DRD2
SCHEMBL1905997 0.89 DRD2 (0.58) PNMTHTR7HRH3DRD2DRD1
SCHEMBL25903891 0.85 PNMT (0.41) PNMTHTR7ACACBHRH1SIGMAR1
SCHEMBL6369524 0.81 HRH3 (0.51) PNMTHRH3ASIC3DRD2DRD1
SCHEMBL30561542 0.79 HRH3 (0.50) PNMTHRH3ASIC3DRD2DRD1
SCHEMBL6298322 0.79 HRH3 (0.50) PNMTHRH3ASIC3DRD2DRD1
SCHEMBL13171826 0.79 HRH3 (0.50) PNMTHRH3ASIC3DRD2DRD1
SCHEMBL6370169 0.79 HTR7 (0.51) PNMTHTR7HRH3ASIC3DRD2
SCHEMBL15636634 0.79 CARM1 (0.58) PNMTHRH3ASIC3DRD2DRD1
SCHEMBL27749072 0.79 HTR7 (0.46) HTR7DRD2DRD3ACACBPOLB

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-2268280-B1 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME (US) 2013-04-24 EP disclosed
US-8173672-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-08 US disclosed
US-8173672-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-05-08 US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 US disclosed
US-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2011-02-24 US disclosed
WO-2009117283-A2 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-09-24 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-20110046145-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 PNMT 470/4885HTR7 137/4885HRH3 107/4885

“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.