SCHEMBL6898796

SCHEMBL6898796

O=c1c2cn(Cc3ccc(-n4cccn4)cc3)c3c(c-2nn1-c1ccccc1F)CCCC3

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.48
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
USP1 O94782 7/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
TOP1 P11387 1/20 0.35

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
SCHEMBL10277233 0.99 CHRM1 (0.47) CHRM1KDM4ELMNASMN1; SMN2DRD2
SCHEMBL6897284 0.86 CHRM1 (0.44) CHRM1KDM4ELMNASMN1; SMN2HCRTR1
SCHEMBL10277217 0.84 MEN1 (0.40) CHRM1
SCHEMBL11894871 0.84 CHRM1 (0.49) CHRM1KDM4ELMNASMN1; SMN2DRD2
SCHEMBL11895623 0.83 CHRM1 (0.70) CHRM1
SCHEMBL11895310 0.82 CHRM1 (0.56) CHRM1KDM4ELMNASMN1; SMN2DRD2
SCHEMBL10314674 0.82 CHRM1 (0.51) CHRM1KDM4ELMNASMN1; SMN2DRD2
SCHEMBL6899792 0.81 CHRM1 (0.40) CHRM1KDM4ELMNASMN1; SMN2USP1
SCHEMBL11895352 0.81 CHRM1 (0.47) CHRM1KDM4ELMNASMN1; SMN2DRD2
SCHEMBL1666095 0.81 CHRM1 (0.54) CHRM1KDM4ELMNASMN1; SMN2USP1

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-2483275-B1 HETEROCYCLIC-FUSED PYRAZOLO[4,3-c]PYRIDIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-10-15 EP disclosed
US-8426438-B2 Heterocyclic-fused pyrazolo[4,3-c]pyridin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-8426438-B2 Heterocyclic-fused pyrazolo[4,3-c]pyridin-3-one M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2013-04-23 US disclosed
US-20120178760-A1 Heterocyclic-Fused Pyrazolo[4,3-c] Pyridin-3-One M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20120178760-A1 Heterocyclic-Fused Pyrazolo[4,3-c] Pyridin-3-One M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
WO-2011041143-A1 HETEROCYCLIC-FUSED PYRAZOLO[4,3-c]PYRIDIN-3-ONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-04-07 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-20120178760-A1 Heterocyclic-Fused Pyrazolo[4,3-c] Pyridin-3-One M1 Receptor Positive Allosteric Modulators CHRM1, CHRM4, CHRM2 CHRM1 1/4885KDM4E 1642/4885LMNA 4032/4885

“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.