SCHEMBL4739332

SCHEMBL4739332

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
DPP4 P27487 1/20 0.31
POLB P06746 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
SCHEMBL4742521 0.81 POLB (0.38) ALDH1A1TSHRNFKB1CYP2C19DPP4
SCHEMBL4742170 0.81 CYP1A2 (0.41) SMN1; SMN2ALDH1A1TSHRCYP2C19
SCHEMBL10203868 0.80 LMNA (0.39) LMNASMN1; SMN2ALDH1A1TSHRNFKB1
SCHEMBL4730461 0.77 LMNA (0.37) LMNASMN1; SMN2ALDH1A1
SCHEMBL4741427 0.76 HTT (0.38) LMNASMN1; SMN2ALDH1A1CYP2C19POLB
SCHEMBL16563021 0.75 DPP4 (0.35) TSHRNFKB1CYP2C19DPP4
SCHEMBL16980483 0.75 DPP4 (0.35) TSHRNFKB1CYP2C19DPP4
SCHEMBL4743137 0.75 DPP4 (0.35) TSHRNFKB1CYP2C19DPP4
SCHEMBL4743121 0.75 CYP1A2 (0.41) SMN1; SMN2ALDH1A1TSHRCYP2C19DPP4
SCHEMBL16980481 0.74 GRIN2B (0.46) SMN1; SMN2TSHR

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 LMNA 3671/4885SMN1; SMN2 4692/4885ALDH1A1 1042/4885

“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.