SCHEMBL11902192

SCHEMBL11902192

CC(C)C[C@H]1CN[C@@H](CC(C)C)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MMP3 P08254 1/20 0.35
CASP1 P29466 1/20 0.35
PLG P00747 1/20 0.33
PRCP P42785 1/20 0.33
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
GHSR Q92847 2/20 0.31
CDC7 O00311 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
SCHEMBL11902134 1.00 MEN1 (0.36) MEN1KMT2AGAALMNACYP3A4
SCHEMBL11902882 0.86 GHSR (0.34) MEN1KMT2AGAALMNACYP3A4
SCHEMBL11902296 0.86 GHSR (0.34) MEN1KMT2AGAALMNACYP3A4
SCHEMBL11902486 0.85 LMNA (0.32) MEN1KMT2AGAALMNACYP3A4
SCHEMBL11902055 0.85 LMNA (0.35) MEN1KMT2AGAALMNACYP3A4
SCHEMBL11903381 0.85 LMNA (0.32) MEN1KMT2AGAALMNACYP3A4
SCHEMBL11902791 0.85 LMNA (0.35) MEN1KMT2AGAALMNACYP3A4
SCHEMBL12467683 0.85 LMNA (0.32) MEN1KMT2AGAALMNACYP3A4
SCHEMBL23008110 0.85 MMP3 (0.32) MEN1KMT2AMMP3CASP1
SCHEMBL11902328 0.81 ABCG2 (0.35) GAALMNACYP3A4CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
US-20120202794-A1 COMPOUNDS PHARMASSET, INC. (US) 2012-08-09 US disclosed
WO-2012103113-A1 PYRAZINE AND IMIDAZOLIDINE DERIVATIVES AND THEIR USES TO TREAT HEPATITIS C GILEAD PHARMASSET, LLC (US) 2012-08-02 WO 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-20120202794-A1 COMPOUNDS HAVCR2, MAVS, GOT2 MEN1 4868/4885KMT2A 4326/4885GAA 231/4885

“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.