SCHEMBL21176340

SCHEMBL21176340

CC(C)CNC(=O)C(=O)C(C)N(C=O)CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CTSD P07339 1/20 0.33
KMT2A Q03164 2/20 0.32
MMP1 P03956 2/20 0.32
MMP8 P22894 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
MAPK14 Q16539 1/20 0.30
HTT P42858 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
SCHEMBL19975241 0.82 EPHX1 (0.40) EPHX1CYP2D6KMT2AMMP1MMP8
SCHEMBL19975106 0.82 EPHX1 (0.40) EPHX1CYP2D6KMT2AMMP1MMP8
SCHEMBL19974883 0.80 ALOX15 (0.47) EPHX1
SCHEMBL21183507 0.77 CTSD (0.36) EPHX1CYP2D6CYP2C19CTSDMMP1
SCHEMBL19975425 0.76 TDP1 (0.33) CTSDSMN1; SMN2MAPK14
SCHEMBL19975120 0.76 CYP2D6 (0.36) CYP2D6CYP2C19KDM4EPOLBKMT2A
SCHEMBL19975574 0.75 CYP2D6 (0.35) CYP2D6CYP2C19KDM4EPOLBKMT2A
SCHEMBL21183526 0.74 ADH1A (0.49) EPHX1CYP2D6CYP2C19KDM4EPOLB
SCHEMBL19975141 0.74 EPHX1 (0.41) EPHX1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL19974993 0.74 ALOX15 (0.44) EPHX1CYP2D6KMT2AMMP1MMP8

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
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C EPHX1 372/4885CYP2D6 798/4885CYP2C19 3198/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C EPHX1 449/4885CYP2D6 562/4885CYP2C19 3143/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C EPHX1 372/4885CYP2D6 798/4885CYP2C19 3198/4885

“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.