SCHEMBL21176193

SCHEMBL21176193

CC(C)CC(=O)N1CC(NC(=O)C(=O)[C@H]2CCC(=O)N2Cc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
P2RX7 Q99572 3/20 0.42
GAA P10253 1/20 0.42
ITGB1 P05556 4/20 0.41
ITGA4 P13612 4/20 0.41
CAPN1 P07384 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.39

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 0.88 P2RX7 (0.46) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL19975374 0.87 P2RX7 (0.47) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL21183578 0.83 P2RX7 (0.51) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL21183582 0.83 P2RX7 (0.51) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL21176322 0.82 GPR119 (0.44) P2RX7GAACAPN1KMT2A
SCHEMBL21176300 0.82 P2RX7 (0.43) ALDH1A1CYP2C9TSHRCYP2C19P2RX7
SCHEMBL19974874 0.82 P2RX7 (0.43) ALDH1A1CYP2C9TSHRCYP2C19P2RX7
SCHEMBL21176345 0.81 CAPN1 (0.45) ALDH1A1CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL21183549 0.81 EPHX2 (0.50) ALDH1A1P2RX7GAACAPN1KMT2A
SCHEMBL19974981 0.81 P2RX7 (0.49) P2RX7GAAITGB1ITGA4CAPN1

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 ALDH1A1 2271/4885CYP2D6 798/4885CYP2C9 4146/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885CYP2D6 562/4885CYP2C9 4061/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885CYP2D6 798/4885CYP2C9 4146/4885

“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.