SCHEMBL5481300

SCHEMBL5481300

CS(=O)(=O)c1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 13/20 0.76
DRD2 P14416 4/20 0.76
CHRM2 P08172 4/20 0.76
CHRM4 P08173 3/20 0.76
CHRM3 P20309 2/20 0.76
ADRA1D P25100 2/20 0.76
ADRA1A P35348 2/20 0.76
ADRA1B P35368 2/20 0.76
CHRM5 P08912 1/20 0.76
HTR2C P28335 1/20 0.76
OPRM1 P35372 6/20 0.66
OPRK1 P41145 2/20 0.61
OPRL1 P41146 2/20 0.61
CACNA1F O60840 1/20 0.59
DRD1 P21728 1/20 0.59
DRD4 P21917 1/20 0.59
HTR7 P34969 1/20 0.59
DRD3 P35462 1/20 0.59
OPRD1 P41143 1/20 0.59
CACNA1D Q01668 1/20 0.59

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
SCHEMBL5480017 0.87 CHRM1 (0.82) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL5473311 0.86 CHRM1 (1.00) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL30558524 0.86 CHRM1 (1.00) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL5478062 0.84 CHRM1 (0.77) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL5469929 0.84 CHRM1 (0.77) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL5475048 0.84 CHRM1 (0.77) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL5476466 0.84 CHRM1 (1.00) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL5482251 0.84 CHRM1 (0.76) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL5486679 0.82 CHRM1 (1.00) CHRM1DRD2CHRM2CHRM4CHRM3
SCHEMBL8863557 0.82 OPRM1 (0.91) CHRM1DRD2CHRM2CHRM4CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515722-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2006-06-21 EP claimed
US-20050176765-A1 Ophthalmic compositions for treating ocular hypertension MSD K.K. (JP) 2005-08-11 US claimed
EP-1515722-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2005-03-23 EP claimed
WO-2003105781-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2003-12-24 WO claimed
US-7279490-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO, INC. (US) 2007-10-09 US disclosed
US-7279490-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO, INC. (US) 2007-10-09 US disclosed
US-7279490-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO, INC. (US) 2007-10-09 US disclosed
US-20050176765-A1 Ophthalmic compositions for treating ocular hypertension MSD K.K. (JP) 2005-08-11 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-20050176765-A1 Ophthalmic compositions for treating ocular hypertension CHRM1, CHRM2, CHRM5 CHRM1 1/4885DRD2 75/4885CHRM2 2/4885

“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.