SCHEMBL6369708

SCHEMBL6369708

CCN1CCc2cc(SC)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
PNMT P11086 1/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
DRD1 P21728 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TNF P01375 1/20 0.39
NOD2 Q9HC29 1/20 0.39

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
SCHEMBL20884940 0.82 HRH3 (0.46) HRH3HTR2AHTR2CHTR2BDRD2
SCHEMBL20884609 0.80 DRD2 (0.49) HTR2AHTR2CHTR2BDRD2DRD3
SCHEMBL21947692 0.78 MAOA (0.55) HTR2AHTR2CHTR2BDRD2DRD3
SCHEMBL6369707 0.78 HRH3 (0.51) HRH3PNMTDRD2DRD3DRD1
SCHEMBL20889998 0.77 HRH3 (0.50) HRH3PNMTDRD2DRD3DRD1
SCHEMBL30336704 0.77 CARM1 (0.58) HRH3PNMTDRD2DRD3DRD1
SCHEMBL6369521 0.77 PNMT (0.55) HRH3PNMTHTR2AHTR2CHTR2B
SCHEMBL6370128 0.77 DRD2 (0.50) HRH3PNMTHTR2AHTR2BDRD2
SCHEMBL1950594 0.77 HRH3 (0.50) HRH3PNMTDRD2DRD3DRD1
SCHEMBL6369677 0.77 CARM1 (0.58) HRH3PNMTDRD2DRD3DRD1

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 HRH3 107/4885PNMT 470/4885HTR2A 81/4885

“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.