SCHEMBL789252

SCHEMBL789252

CC(=O)O[C@@H]1CCC[C@H]1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.53
CHRM1 P11229 3/20 0.53
CHRM4 P08173 2/20 0.53
CHRM3 P20309 2/20 0.53
KMT2A Q03164 3/20 0.48
CYP2D6 P10635 3/20 0.48
MEN1 O00255 2/20 0.48
SLC18A3 Q16572 2/20 0.41
ALDH1A1 P00352 1/20 0.37
SERPINE1 P05121 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 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
SCHEMBL20995891 1.00 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7926060 0.94 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7926056 0.94 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7920287 0.94 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL16672047 0.92 CHRM2 (0.47) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL941667 0.89 CHRM2 (0.50) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7678513 0.87 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL7678515 0.87 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL16221684 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM4CHRM3KMT2A
SCHEMBL19962806 0.85 CHRM2 (0.46) CHRM2CHRM1CHRM4CHRM3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2020-08-27 US disclosed
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2018-06-14 US disclosed
US-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2017-03-30 US disclosed
US-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2017-03-30 US disclosed
US-9220748-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-9220748-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
WO-2012040167-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-03-29 WO disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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 (5 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-20170088583-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD CHRM2 4875/4885CHRM1 4852/4885CHRM4 4830/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD CHRM2 4875/4885CHRM1 4852/4885CHRM4 4830/4885
US-20200270303-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD CHRM2 4875/4885CHRM1 4852/4885CHRM4 4830/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD CHRM2 4875/4885CHRM1 4852/4885CHRM4 4830/4885
US-20180162905-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD CHRM2 4875/4885CHRM1 4852/4885CHRM4 4830/4885

“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.