SCHEMBL665373

SCHEMBL665373

CCc1oc2ccccc2c1C(C)C(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 9/20 0.47
EYA3 Q99504 3/20 0.46
SLC22A12 Q96S37 2/20 0.46
CYP2C9 P11712 8/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ABCB11 O95342 2/20 0.43
LMNA P02545 2/20 0.43
TTR P02766 2/20 0.43
PGR P06401 2/20 0.43
ADRA2A P08913 2/20 0.43
TBXA2R P21731 2/20 0.43
OPRM1 P35372 2/20 0.43
SLC6A3 Q01959 2/20 0.43
BIRC5 O15392 1/20 0.43
HTR1A P08908 1/20 0.43
DRD1 P21728 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL11640926 0.84 CYP2C19 (0.50) CYP2C19EYA3SLC22A12CYP2C9KMT2A
Hydrochloric Acid SCHEMBL11637777 0.84 CYP2C19 (0.50) CYP2C19EYA3SLC22A12CYP2C9KMT2A
SCHEMBL11635688 0.83 CYP2C19 (0.49) CYP2C19EYA3SLC22A12CYP2C9KMT2A
SCHEMBL11637773 0.83 CYP2C19 (0.49) CYP2C19EYA3SLC22A12CYP2C9KMT2A
SCHEMBL14299512 0.77 CYP2C19 (0.54) CYP2C19EYA3SLC22A12CYP2C9KMT2A
SCHEMBL11638070 0.75 CYP2C19 (0.47) CYP2C19EYA3SLC22A12CYP2C9KMT2A
SCHEMBL9344605 0.75 CYP2C9 (0.52) CYP2C19EYA3SLC22A12CYP2C9KMT2A
SCHEMBL4806386 0.71 CYP2C19 (0.69) CYP2C19EYA3SLC22A12CYP2C9ALDH1A1
SCHEMBL11637488 0.71 CYP2C19 (0.48) CYP2C19EYA3SLC22A12CYP2C9KMT2A
Hydrochloric Acid SCHEMBL9350957 0.70 EYA3 (0.64) CYP2C19EYA3SLC22A12CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 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 (7 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 CYP2C19 2298/4885EYA3 2864/4885SLC22A12 2922/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 CYP2C19 2314/4885EYA3 1211/4885SLC22A12 1080/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 CYP2C19 2298/4885EYA3 2864/4885SLC22A12 2922/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 CYP2C19 2314/4885EYA3 1211/4885SLC22A12 1080/4885
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 CYP2C19 1648/4885EYA3 3521/4885SLC22A12 590/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 CYP2C19 2298/4885EYA3 2864/4885SLC22A12 2922/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 CYP2C19 2314/4885EYA3 1211/4885SLC22A12 1080/4885

“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.