SCHEMBL13912976

SCHEMBL13912976

CC(C)(C)CCNC(C)(C)CO

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
DPP4 P27487 1/20 0.30

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
SCHEMBL9638094 0.83 HTT (0.38) HTTDPP4
SCHEMBL12927516 0.78 HTT (0.35) HTTDPP4
SCHEMBL12927510 0.78 HTT (0.35) HTTDPP4
SCHEMBL4782050 0.78 HTT (0.35) HTTDPP4
SCHEMBL1457911 0.78
SCHEMBL419872 0.76
SCHEMBL10066967 0.76 TSHR (0.37)
SCHEMBL11616465 0.76 HTT (0.34) HTTDPP4
SCHEMBL23869463 0.74 ALDH1A1 (0.35)
SCHEMBL3429589 0.74

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 disclosed
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 HTT 331/4885DPP4 2192/4885

“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.