SCHEMBL3500871

SCHEMBL3500871

CC(C)(C)OC(=O)NCC(NC(=O)O)C(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSK P43235 4/20 0.44
CTSS P25774 5/20 0.43
CTSL P07711 3/20 0.43
CTSB P07858 3/20 0.43
CTSD P07339 1/20 0.43
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.38
GAA P10253 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL3492474 1.00 USP2 (0.44) USP2SMN1; SMN2CTSKCTSSCTSL
SCHEMBL16435378 0.92 CTSK (0.48) USP2SMN1; SMN2CTSKCTSSCTSL
SCHEMBL6423547 0.86 TSHR (0.38) CTSKCTSSCTSLCTSBTSHR
SCHEMBL16435346 0.83 CTSS (0.45) CTSKCTSSCTSLCTSBTSHR
SCHEMBL18058298 0.82 CTSK (0.44) USP2SMN1; SMN2CTSKCTSSCTSL
SCHEMBL8235945 0.82 SYK (0.59) CTSKCTSSCTSLCTSB
SCHEMBL14850864 0.80 ITGB3 (0.46) CTSKCTSSCTSLCTSBTSHR
SCHEMBL25177957 0.80 CTSK (0.48) USP2SMN1; SMN2CTSKCTSSCTSL
SCHEMBL14850788 0.79 ITGB3 (0.45) CTSKCTSSCTSLCTSBTSHR
SCHEMBL10076126 0.79 CTSK (0.50) USP2SMN1; SMN2CTSKCTSSCTSL

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 USP2 3772/4885SMN1; SMN2 4730/4885CTSK 699/4885

“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.