SCHEMBL6369684

SCHEMBL6369684

CCN1CCc2cc(O)c(O)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
DHCR7 Q9UBM7 3/20 0.45
ABCB1 P08183 1/20 0.44
PNMT P11086 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL6369710 0.90 CA2 (0.44) CA2CA9DRD2DRD1KDM4E
SCHEMBL10696554 0.86 FYN (0.42) CA2CA9DRD2DRD1KDM4E
SCHEMBL3506070 0.85 CA2 (0.67) CA2CA9DRD2DRD1KDM4E
SCHEMBL9885510 0.81 DRD2 (0.42) DRD2DRD1KDM4ETDP1GAA
SCHEMBL27624983 0.81 ABCB1 (0.68) DRD2DRD1DHCR7ABCB1
SCHEMBL27624937 0.80 COMT (0.46) CA2CA9KDM4ETDP1GAA
SCHEMBL27624778 0.80 ABCB1 (0.67) DRD2DRD1DHCR7ABCB1
SCHEMBL27644910 0.80 ABCB1 (0.67) DRD2DRD1DHCR7ABCB1
SCHEMBL27624812 0.80 ABCB1 (0.67) DRD2DRD1DHCR7ABCB1
SCHEMBL27624961 0.80 ABCB1 (0.67) DRD2DRD1DHCR7ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019070973-A1 CEPHEM COMPOUNDS WITH LATENT REACTIVE GROUPS GLADIUS PHARMACEUTICALS CORPORATION (CA) 2019-04-11 WO disclosed
WO-2019070973-A1 CEPHEM COMPOUNDS WITH LATENT REACTIVE GROUPS GLADIUS PHARMACEUTICALS CORPORATION (CA) 2019-04-11 WO disclosed
US-20190100534-A1 Cephem Compounds with Latent Reactive Groups GLADIUS PHARMACEUTICALS INC (CA) 2019-04-04 US disclosed
US-20190100534-A1 Cephem Compounds with Latent Reactive Groups GLADIUS PHARMACEUTICALS INC (CA) 2019-04-04 US disclosed
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 (2 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 CA2 3273/4885CA9 4588/4885DRD2 230/4885
US-20190100534-A1 Cephem Compounds with Latent Reactive Groups PGLS, GNE, COMT CA2 2838/4885CA9 2535/4885DRD2 1186/4885

“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.