SCHEMBL617503

SCHEMBL617503

O=c1[nH]nc2c3sccc3n(Cc3ccc(-n4cccn4)cc3)nc1-2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.52
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
BUB1 O43683 1/20 0.37
USP1 O94782 7/20 0.36
NOTUM Q6P988 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PKM P14618 1/20 0.34
PKLR P30613 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL15204215 0.87 CHRM1 (0.43) CHRM1DRD2DRD4DRD3BUB1
SCHEMBL3785133 0.82 CHRM1 (0.68) CHRM1DRD2DRD4DRD3BUB1
SCHEMBL13153318 0.80 CHRM1 (0.43) CHRM1DRD2DRD4DRD3BUB1
SCHEMBL614883 0.77 CHRM1 (0.43) CHRM1DRD2DRD4DRD3BUB1
SCHEMBL3785488 0.76 CHRM1 (0.49) CHRM1DRD2DRD4DRD3BUB1
SCHEMBL615989 0.73 CHRM1 (0.40) CHRM1HCRTR1HCRTR2
SCHEMBL617325 0.72 CHRM1 (0.44) CHRM1USP1HCRTR1HCRTR2KDM4E
SCHEMBL617431 0.70 CHRM1 (0.43) CHRM1BUB1KDM4ELMNASMN1; SMN2
SCHEMBL6897301 0.69 CHRM1 (0.52) CHRM1DRD2DRD4DRD3BUB1
SCHEMBL11894855 0.68 CHRM1 (1.00) CHRM1DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421366-B1 HETEROCYCLIC FUSED CINNOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2013-08-28 EP disclosed
US-8293744-B2 Heterocyclic fused cinnoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-23 US disclosed
US-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2012-02-16 US 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-20120040978-A1 Heterocyclic Fused Cinnoline M1 Receptor Positive Allosteric Modulators CHRM1, CNR1, CHRNA7 CHRM1 1/4885DRD2 169/4885DRD4 324/4885

“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.