SCHEMBL4308093

SCHEMBL4308093

CCCCN(CCC)C(=O)Cn1c(=O)c(C2CCCC2)cc2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.40
EDNRA P25101 4/20 0.40
MAPT P10636 1/20 0.39
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.38
DRD4 P21917 1/20 0.37
TSPO P30536 1/20 0.37
APLNR P35414 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL4310915 0.98 EDNRB (0.41) EDNRBEDNRAMAPTCNR2DRD4
SCHEMBL4315006 0.97 EDNRB (0.41) EDNRBEDNRAMAPTCNR2DRD4
SCHEMBL4307939 0.96 MAPT (0.41) EDNRBEDNRAMAPTLMNATSPO
SCHEMBL4321794 0.95 PTGDR2 (0.41) EDNRBEDNRAMAPTCNR2LMNA
SCHEMBL4308803 0.94 CNR2 (0.40) EDNRBMAPTCNR2
SCHEMBL4312789 0.94 TP53 (0.40) EDNRBMAPTCNR2LMNATSPO
SCHEMBL4310405 0.92 EDNRB (0.38) EDNRBEDNRAMAPTCNR2DRD4
SCHEMBL4307784 0.92 EDNRB (0.39) EDNRBEDNRAMAPTDRD4TSPO
SCHEMBL4307921 0.92 CNR2 (0.38) EDNRBMAPTCNR2
SCHEMBL4307678 0.91 EDNRB (0.39) EDNRBEDNRAMAPTCNR2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 EDNRB 152/4885EDNRA 212/4885MAPT 498/4885

“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.