SCHEMBL21176333

SCHEMBL21176333

CC(C)(C)OC(=O)NCCCCCCNC(=O)C(=O)C1CCC(=O)N1Cc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
USP2 O75604 1/20 0.42
P2RX7 Q99572 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL21176319 0.94 ALDH1A1 (0.45) DRD2ALDH1A1KMT2AGAACYP2D6
SCHEMBL21176334 0.91 TSHR (0.47) ALDH1A1KMT2AGAACYP2D6CYP2C19
SCHEMBL21176246 0.91 TSHR (0.47) ALDH1A1KMT2AGAACYP2D6CYP2C19
SCHEMBL21176220 0.91 TSHR (0.47) ALDH1A1KMT2AGAACYP2D6CYP2C19
SCHEMBL21176242 0.91 ALDH1A1 (0.46) DRD2ALDH1A1KMT2AGAACYP2D6
SCHEMBL21176336 0.87 ALDH1A1 (0.51) ALDH1A1KMT2AGAACYP2D6CYP2C19
SCHEMBL21176174 0.86 P2RX7 (0.46) ALDH1A1KMT2AGAACYP2D6CYP2C19
SCHEMBL19974723 0.86 ALDH1A1 (0.52) ALDH1A1KMT2AGAACYP2D6CYP2C19
SCHEMBL21176325 0.85 USP2 (0.50) ALDH1A1KMT2AGAACYP2D6CYP2C19
Hydrochloric Acid SCHEMBL19975083 0.84 ALDH1A1 (0.50) ALDH1A1KMT2AGAACYP2D6CYP2C19

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 DRD2 3773/4885ALDH1A1 2271/4885KMT2A 4031/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C DRD2 3704/4885ALDH1A1 2673/4885KMT2A 4177/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C DRD2 3773/4885ALDH1A1 2271/4885KMT2A 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.