SCHEMBL21176345

SCHEMBL21176345

CC(C)C(=O)N1CCC(NC(=O)C(=O)[C@H]2CCC(=O)N2Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.45
P2RX7 Q99572 3/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
SIGMAR1 Q99720 3/20 0.43
DRD4 P21917 1/20 0.42

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
SCHEMBL21176249 0.91 P2RX7 (0.46) CAPN1P2RX7GAAMEN1KMT2A
SCHEMBL21176360 0.87 KMT2A (0.45) CAPN1P2RX7GAAMEN1KMT2A
SCHEMBL21183578 0.86 P2RX7 (0.51) CAPN1P2RX7GAAMEN1KMT2A
SCHEMBL21183582 0.86 P2RX7 (0.51) CAPN1P2RX7GAAMEN1KMT2A
SCHEMBL21176161 0.85 DPP7 (0.54) CAPN1P2RX7GAAMEN1KMT2A
SCHEMBL19974895 0.85 DPP7 (0.54) P2RX7MEN1KMT2AITGB1ITGA4
SCHEMBL21176162 0.84 CYP2C19 (0.45) CAPN1P2RX7GAAITGB1ITGA4
SCHEMBL21176233 0.84 GPR119 (0.50) MEN1KMT2A
SCHEMBL19974981 0.84 P2RX7 (0.49) CAPN1P2RX7GAAKMT2AITGB1
SCHEMBL21183549 0.84 EPHX2 (0.50) CAPN1P2RX7GAAMEN1KMT2A

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 5 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
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 CAPN1 1497/4885P2RX7 339/4885GAA 75/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CAPN1 1555/4885P2RX7 564/4885GAA 107/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CAPN1 1497/4885P2RX7 339/4885GAA 75/4885

“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.