SCHEMBL5478159

SCHEMBL5478159

Cc1ccsc1CN1CCC(N2CCC(n3c(=O)[nH]c4cc(Br)ccc43)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.57
CHRM1 P11229 8/20 0.56
DRD2 P14416 3/20 0.54
CHRM2 P08172 1/20 0.54
CHRM4 P08173 1/20 0.54
CHRM5 P08912 1/20 0.54
CHRM3 P20309 1/20 0.54
ADRA1D P25100 1/20 0.54
HTR2C P28335 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
PLD2 O14939 3/20 0.48
PLD1 Q13393 3/20 0.48

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 0.87 CHRM1 (0.71) OPRM1CHRM1DRD2CHRM2CHRM4
SCHEMBL5478755 0.83 CHRM1 (0.79) OPRM1CHRM1DRD2CHRM2CHRM4
SCHEMBL5478167 0.79 CHRM1 (0.63) OPRM1CHRM1DRD2CHRM2CHRM4
SCHEMBL5482356 0.77 CHRM1 (0.67) OPRM1CHRM1DRD2CHRM2CHRM4
SCHEMBL5476534 0.75 CHRM1 (0.71) OPRM1CHRM1DRD2CHRM2CHRM4
SCHEMBL28604447 0.74 OPRM1 (0.60) OPRM1CHRM1DRD2PLD2PLD1
SCHEMBL25291004 0.73 OPRM1 (0.61) OPRM1CHRM1DRD2PLD2PLD1
SCHEMBL6577930 0.73 CHRM1 (0.59) OPRM1CHRM1DRD2CHRM2CHRM4
SCHEMBL22122308 0.71 OPRM1 (0.59) OPRM1CHRM1DRD2CHRM2CHRM4
SCHEMBL5470988 0.71 CHRM1 (0.82) OPRM1CHRM1DRD2CHRM2CHRM4

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 OPRM1 69/4885CHRM1 1/4885DRD2 75/4885

“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.