SCHEMBL5486702

SCHEMBL5486702

O=c1[nH]c2ccccc2n1C1CCN(C2CCN(Cc3nccs3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 0.63
CHRM2 P08172 5/20 0.63
CHRM4 P08173 5/20 0.63
CHRM3 P20309 4/20 0.63
DRD2 P14416 3/20 0.63
CHRM5 P08912 3/20 0.63
ADRA1D P25100 1/20 0.63
HTR2C P28335 1/20 0.63
ADRA1A P35348 1/20 0.63
ADRA1B P35368 1/20 0.63
OPRM1 P35372 8/20 0.60
OPRK1 P41145 1/20 0.60
OPRL1 P41146 1/20 0.60

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
SCHEMBL5481975 0.82 CHRM1 (0.66) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL5476534 0.82 CHRM1 (0.71) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL5476321 0.82 CHRM1 (0.71) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL5478167 0.82 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL8863557 0.81 OPRM1 (0.91) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL8863470 0.80 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL5481907 0.80 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL5474956 0.79 CHRM1 (0.59) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL8863350 0.79 OPRM1 (0.71) CHRM1CHRM2CHRM4CHRM3DRD2
SCHEMBL8863863 0.79 CHRM1 (0.64) CHRM1CHRM2CHRM4CHRM3DRD2

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 9 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
US-20050176765-A1 Ophthalmic compositions for treating ocular hypertension MSD K.K. (JP) 2005-08-11 US 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.