SCHEMBL10137647

SCHEMBL10137647

CC(C)(C)OC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)OC(C)(C)C)C2(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
MAPK1 P28482 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B1 P28845 1/20 0.31
PREP P48147 1/20 0.31
EPHX2 P34913 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL14583034 1.00 NR1H2 (0.34) NR1H2MAPK1CHRM2CHRM1CHRM3
SCHEMBL4307305 0.91 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL30536042 0.90 HSD17B10 (0.36) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL13305792 0.90 HSD17B10 (0.36) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL4304666 0.83 CHRM2 (0.37) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL4301159 0.78 CTSK (0.35) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL1948727 0.77 HSD17B10 (0.39) NR1H2MAPK1CHRM2CHRM1CHRM3
SCHEMBL31374926 0.77 ELANE (0.37)
SCHEMBL16843376 0.75 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3HSD17B10
SCHEMBL14451046 0.75 NR1H2 (0.35) NR1H2CHRM2CHRM1CHRM3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025011610-A1 AMIDE DERIVATIVE, AND COMPOSITION AND USE THEREOF 深圳市塔吉瑞生物医药有限公司 2025-01-16 WO disclosed
CN-119306790-A Amide derivative, composition and use thereof 深圳市塔吉瑞生物医药有限公司 2025-01-14 CN disclosed
WO-2023116734-A1 FUSED PYRROLIDINE COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF RESPIRATORY VIRAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-06-29 WO disclosed
US-RE43298-E1 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8067379-B2 Sulfur compounds as inhibitors of hepatitis C virus NS3 serine protease SCHERING CORPORATION (US) 2011-11-29 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 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-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP NR1H2 2620/4885MAPK1 3042/4885CHRM2 4878/4885

“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.