SCHEMBL4339111

SCHEMBL4339111

C1Cc2onc(CN3CCOCC3)c2CN1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 0.46
CHRM5 P08912 9/20 0.41
CHRM1 P11229 9/20 0.41
CHRM2 P08172 8/20 0.41
CHRM4 P08173 8/20 0.41
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.35
CXCR4 P61073 1/20 0.33
PARP1 P09874 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
SCHEMBL3441412 0.87 CHRM3 (0.47) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL19831902 0.73 CHRM3 (0.58) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL4349594 0.70 CHRM3 (0.50) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL19033501 0.70 CHRM3 (0.50) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL2586360 0.69 LMNA (0.67) CHRM3
SCHEMBL16221083 0.69 CHRM3 (0.56) CHRM3CHRM5CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL10652697 0.69 CHRM3 (0.59) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL455554 0.64 CHRM3 (0.59) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL4115773 0.64 CHRM3 (0.59) CHRM3CHRM5CHRM1CHRM2CHRM4
SCHEMBL16220619 0.64 CHRM3 (0.54) CHRM3CHRM5CHRM1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 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-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 CHRM3 1235/4885CHRM5 2057/4885CHRM1 1433/4885

“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.