SCHEMBL5474362

SCHEMBL5474362

Cc1nnsc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 11/20 0.66
CHRM2 P08172 6/20 0.66
CHRM4 P08173 5/20 0.66
DRD2 P14416 4/20 0.66
CHRM3 P20309 4/20 0.66
CHRM5 P08912 3/20 0.66
ADRA1D P25100 2/20 0.66
ADRA1A P35348 2/20 0.66
ADRA1B P35368 2/20 0.66
HTR2C P28335 1/20 0.66
OPRM1 P35372 8/20 0.59
OPRK1 P41145 2/20 0.58
OPRL1 P41146 2/20 0.58
CACNA1F O60840 1/20 0.54
DRD1 P21728 1/20 0.54
DRD4 P21917 1/20 0.54
HTR7 P34969 1/20 0.54
DRD3 P35462 1/20 0.54
OPRD1 P41143 1/20 0.54
CACNA1D Q01668 1/20 0.54

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
SCHEMBL5476321 0.82 CHRM1 (0.71) CHRM1CHRM2CHRM4DRD2CHRM3
SCHEMBL5470988 0.81 CHRM1 (0.82) CHRM1CHRM2CHRM4DRD2CHRM3
SCHEMBL5473311 0.80 CHRM1 (1.00) CHRM1CHRM2CHRM4DRD2CHRM3
SCHEMBL30558524 0.80 CHRM1 (1.00) CHRM1CHRM2CHRM4DRD2CHRM3
SCHEMBL5470073 0.80 CHRM1 (0.62) CHRM1CHRM2CHRM4DRD2CHRM3
SCHEMBL5474716 0.79 CHRM1 (0.70) CHRM1CHRM2CHRM4DRD2CHRM3
SCHEMBL8863557 0.79 OPRM1 (0.91) CHRM1CHRM2CHRM4DRD2CHRM3
SCHEMBL5480017 0.79 CHRM1 (0.82) CHRM1CHRM2CHRM4DRD2CHRM3
SCHEMBL5478167 0.78 CHRM1 (0.63) CHRM1CHRM2CHRM4DRD2CHRM3
SCHEMBL5476534 0.78 CHRM1 (0.71) CHRM1CHRM2CHRM4DRD2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279490-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO, INC. (US) 2007-10-09 US claimed
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
EP-1515722-A4 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO INC (US) 2006-06-21 EP disclosed
US-20050176765-A1 Ophthalmic compositions for treating ocular hypertension MSD K.K. (JP) 2005-08-11 US disclosed
EP-1515722-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2005-03-23 EP disclosed
WO-2003105781-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2003-12-24 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 (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 1/4885CHRM2 2/4885CHRM4 4/4885

“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.