SCHEMBL4742352

SCHEMBL4742352

CC(C)[C@]1(C)CCCN1C(=O)[C@@H](C)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
JAK3 P52333 2/20 0.35
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL10187244 1.00 DPP4 (0.36) DPP4JAK3TSHRNFKB1CYP2C19
SCHEMBL16980483 0.81 DPP4 (0.35) DPP4TSHRNFKB1CYP2C19
SCHEMBL4743137 0.81 DPP4 (0.35) DPP4TSHRNFKB1CYP2C19
SCHEMBL16563021 0.81 DPP4 (0.35) DPP4TSHRNFKB1CYP2C19
SCHEMBL4742170 0.76 CYP1A2 (0.41) TSHRCYP2C19
SCHEMBL4742521 0.76 POLB (0.38) DPP4TSHRNFKB1CYP2C19
SCHEMBL4743121 0.76 CYP1A2 (0.41) DPP4JAK3TSHRCYP2C19
SCHEMBL4742512 0.76 DPP4 (0.38) DPP4JAK3TSHRNFKB1CYP2C19
SCHEMBL27010259 0.76 TSHR (0.32) DPP4TSHRNFKB1CYP2C19
SCHEMBL4731041 0.75 DPP4 (0.35) DPP4JAK3

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-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS THERAVANCE, INC. (US) 2012-05-10 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-20120114600-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, ZC3HAV1 DPP4 475/4885JAK3 136/4885TSHR 4463/4885

“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.