SCHEMBL4310974

SCHEMBL4310974

CCCN(CCC(C)(C)C)C(=O)Cn1c(=O)c(-c2ccc(CCCO)cc2)nc2ccc(OC)cc21

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.39
TSPO P30536 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
SCHEMBL4309236 0.85 MC4R (0.43) SCD
SCHEMBL4312795 0.83 SCD (0.43) SCD
SCHEMBL4311710 0.82 AKR1B10 (0.49)
SCHEMBL4307328 0.82 MTNR1A (0.40)
SCHEMBL4312648 0.79 MTNR1A (0.36)
SCHEMBL4315289 0.78 MTNR1A (0.38)
SCHEMBL6047784 0.77 MTNR1A (0.40) TSPO
SCHEMBL4321767 0.77 MTNR1A (0.43)
SCHEMBL4305278 0.76 LYN (0.42) TSPO
SCHEMBL4320915 0.76 MTNR1A (0.41)

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 2 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

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 SCD 4403/4885TSPO 859/4885

“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.