SCHEMBL7546189

SCHEMBL7546189

CC(C)(C)OC(=O)NCC(=O)NCCC#N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
CTSS P25774 12/20 0.42
CTSK P43235 10/20 0.42
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSL P07711 2/20 0.40
CTSB P07858 2/20 0.40

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
SCHEMBL1304101 0.88 TDP1 (0.53) TDP1CTSSCTSKMAOAMAOB
SCHEMBL7337844 0.86 TDP1 (0.45) TDP1CTSSCTSKMAPTMAOA
SCHEMBL27939620 0.85 CTSS (0.53) TDP1CTSSCTSKCTSLCTSB
SCHEMBL14723706 0.80 TDP1 (0.66) TDP1MAOAMAOBMEN1GAA
SCHEMBL18239620 0.80 TDP1 (0.56) TDP1MAOAMAOBMEN1GAA
SCHEMBL25327812 0.78 MEN1 (0.47) TDP1CTSSCTSKMAOAMAOB
SCHEMBL5873372 0.78 TDP1 (0.46) TDP1MAPTMAOAMAOBMEN1
SCHEMBL1519817 0.78 MEN1 (0.60) TDP1CTSSCTSKMAOAMAOB
SCHEMBL4589365 0.78 MAOA (0.47) TDP1MAOAMAOBMEN1GAA
SCHEMBL10243062 0.78 TDP1 (0.46) TDP1MAOAMAOBMEN1GAA

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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP NOVARTIS AG (CH) 2012-05-17 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-20120122764-A1 SUBSTITUTED CARBAMOYLCYCLOALKYL ACETIC ACID DERIVATIVES AS NEP MME, REN, ECE1 TDP1 2971/4885CTSS 357/4885CTSK 252/4885

“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.