SCHEMBL19974731

SCHEMBL19974731

CC(C(=O)C(=O)NCC1CC1)N(C=O)CC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
ALOX15 P16050 1/20 0.32
KCNH2 Q12809 1/20 0.31
CACNA1I Q9P0X4 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL19975146 0.86 KMT2A (0.33) TDP1KMT2AALOX15KCNH2CACNA1I
SCHEMBL21176350 0.86 KMT2A (0.33) TDP1KMT2AALOX15KCNH2CACNA1I
SCHEMBL19974702 0.86 KMT2A (0.33) TDP1KMT2AALOX15KCNH2CACNA1I
SCHEMBL19975299 0.82 HDAC6 (0.37) OPRD1OPRK1SMN1; SMN2
SCHEMBL19975120 0.80 CYP2D6 (0.36) KMT2ACNR1CNR2SMN1; SMN2
SCHEMBL19975241 0.80 EPHX1 (0.40) TDP1KMT2ASMN1; SMN2
SCHEMBL19975106 0.80 EPHX1 (0.40) TDP1KMT2ASMN1; SMN2
SCHEMBL19974882 0.78 KMT2A (0.38) TDP1KMT2AKCNH2CACNA1ISMN1; SMN2
SCHEMBL19974883 0.77 ALOX15 (0.47) TDP1ALOX15
SCHEMBL19974679 0.76 KMT2A (0.36) TDP1KMT2ASMN1; SMN2

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 8 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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO 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 TDP1 1016/4885KMT2A 4031/4885OPRD1 2209/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TDP1 911/4885KMT2A 4177/4885OPRD1 2034/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TDP1 1016/4885KMT2A 4031/4885OPRD1 2209/4885

“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.