SCHEMBL23758463

SCHEMBL23758463

C[C@@H]1CC1NC(=O)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.46
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.43
CAPN1 P07384 1/20 0.43
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
USP2 O75604 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
SCHEMBL21176218 1.00 P2RX7 (0.47) P2RX7GAAKMT2ACYP2C9CYP2C19
SCHEMBL21176335 0.88 P2RX7 (0.48) P2RX7GAAKMT2ACYP2C9CYP2C19
SCHEMBL21183582 0.85 P2RX7 (0.51) P2RX7GAAKMT2ACYP2C9CYP2C19
SCHEMBL21183578 0.85 P2RX7 (0.51) P2RX7GAAKMT2ACYP2C9CYP2C19
SCHEMBL19975341 0.84 P2RX7 (0.46) P2RX7GAAKMT2AALDH1A1CAPN1
SCHEMBL19974719 0.84 P2RX7 (0.46) P2RX7GAAKMT2AALDH1A1CAPN1
SCHEMBL21183603 0.84 P2RX7 (0.52) P2RX7GAAKMT2ACYP2C9CYP2C19
SCHEMBL21183549 0.83 EPHX2 (0.50) P2RX7GAAKMT2AALDH1A1CAPN1
SCHEMBL19974981 0.83 P2RX7 (0.49) P2RX7GAAKMT2ACAPN1ITGB1
SCHEMBL19974789 0.83 P2RX7 (0.48) P2RX7GAAKMT2ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 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 (1 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-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885GAA 75/4885KMT2A 4031/4885

“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.