SCHEMBL9109986

SCHEMBL9109986

CC(C)(C)OC(=O)Nc1cnc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.41
NAMPT P43490 1/20 0.41
ATR Q13535 1/20 0.40
HRH3 Q9Y5N1 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1502279 0.74 IDO1 (0.45) NAMPT
SCHEMBL17208821 0.72 ATR (0.51) CYP17A1NAMPTATRMEN1KMT2A
SCHEMBL27345606 0.72 ATR (0.42) CYP17A1NAMPTATR
SCHEMBL25944367 0.71 ATR (0.40) CYP17A1NAMPTATRMEN1KMT2A
SCHEMBL1566862 0.71 RAB9A (0.52) CYP17A1NAMPTATRMEN1KMT2A
Pyridine SCHEMBL28155747 0.71 RAB9A (0.46) CYP17A1NAMPTATRMEN1KMT2A
SCHEMBL19180758 0.70 NAMPT (0.54) CYP17A1NAMPTATRRAB9A
SCHEMBL14428036 0.70 NAMPT (0.54) CYP17A1NAMPTATRRAB9A
SCHEMBL31363541 0.70 LCK (0.47) CYP17A1NAMPTATR
SCHEMBL1829342 0.70 TP53 (0.42) HRH3MEN1KMT2ARAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260069602-A1 COMPOUNDS, COMPOSITIONS, AND METHODS ACONCAGUA BIO INC (US) 2026-03-12 US disclosed
CN-116194439-A SOCE inhibitors and therapeutic uses thereof 国家医疗保健研究所 2023-05-30 CN disclosed
CN-108570048-A Substituted heteroaryl compound and combinations thereof and purposes 广东东阳光药业有限公司 2018-09-25 CN disclosed
US-8552022-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2012-06-07 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 (2 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-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GCGR CYP17A1 875/4885NAMPT 2670/4885ATR 4384/4885
US-20260069602-A1 COMPOUNDS, COMPOSITIONS, AND METHODS SCTR, SSTR1, NPY1R CYP17A1 2426/4885NAMPT 4202/4885ATR 2752/4885

“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.