SCHEMBL15195022

SCHEMBL15195022

CC(C)(C)OC(=O)COCC1CCC(COC(=O)Nc2ccccc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 2/20 0.51
▸ CHRM3 P20309 18/20 0.48
▸ CHRM2 P08172 3/20 0.45
▸ CHRM1 P11229 3/20 0.45

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
SCHEMBL1118605 0.84 PTGIR (0.72) PTGIR
SCHEMBL19715259 0.84 PTGIR (0.72) PTGIR
SCHEMBL1118606 0.84 PTGIR (0.72) PTGIR
SCHEMBL1118805 0.83 PTGIR (0.56) PTGIRCHRM3CHRM2CHRM1
SCHEMBL1118807 0.83 PTGIR (0.56) PTGIRCHRM3CHRM2CHRM1
SCHEMBL6519010 0.81 PTGIR (0.55) PTGIRCHRM3
SCHEMBL1118739 0.81 PTGIR (0.55) PTGIRCHRM3
SCHEMBL19715261 0.78 PTGIR (0.56) PTGIRCHRM3CHRM2CHRM1
SCHEMBL30325319 0.78 PTGIR (0.56) PTGIRCHRM3CHRM2CHRM1
SCHEMBL15195059 0.77 PTGIR (0.60) PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130217706-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2013-08-22 — — 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-20130217706-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER2 PTGIR 1/4885CHRM3 1275/4885CHRM2 615/4885

“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.

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