SCHEMBL21176220

SCHEMBL21176220

CC(C)(C)OC(=O)NCCCCCCCCCCCCNC(=O)C(=O)C1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
OPRL1 P41146 1/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2C9 P11712 2/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 2/20 0.44
GFER P55789 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
P2RX7 Q99572 3/20 0.44
GAA P10253 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CACNA1G O43497 1/20 0.43
NPFFR1 Q9GZQ6 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
SCHEMBL21176334 1.00 TSHR (0.47) TSHRALOX15OPRL1CYP2D6CYP2C19
SCHEMBL21176246 1.00 TSHR (0.47) TSHRALOX15OPRL1CYP2D6CYP2C19
SCHEMBL21176174 0.95 P2RX7 (0.46) TSHRALOX15OPRL1CYP2D6CYP2C19
SCHEMBL21176325 0.93 USP2 (0.50) TSHRALOX15OPRL1CYP2D6CYP2C19
SCHEMBL21176333 0.91 DRD2 (0.48) TSHRALOX15CYP2D6CYP2C19CYP2C9
SCHEMBL19975159 0.87 TSHR (0.50) TSHRALOX15OPRL1CYP2D6CYP2C19
SCHEMBL21176276 0.87 TSHR (0.50) TSHRALOX15OPRL1CYP2D6CYP2C19
SCHEMBL19975520 0.87 P2RX7 (0.49) TSHRALOX15OPRL1CYP2D6CYP2C19
SCHEMBL19975067 0.87 P2RX7 (0.49) TSHRALOX15OPRL1CYP2D6CYP2C19
SCHEMBL19975060 0.87 P2RX7 (0.49) TSHRALOX15OPRL1CYP2D6CYP2C19

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 TSHR 4378/4885ALOX15 325/4885OPRL1 1821/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C TSHR 4240/4885ALOX15 518/4885OPRL1 1762/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C TSHR 4378/4885ALOX15 325/4885OPRL1 1821/4885

“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.