SCHEMBL19974872

SCHEMBL19974872

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.51
CYP2C19 P33261 4/20 0.51
ALDH1A1 P00352 3/20 0.51
CYP2C9 P11712 3/20 0.51
TSHR P16473 2/20 0.51
P2RX7 Q99572 6/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ITGB1 P05556 2/20 0.46
ITGA4 P13612 2/20 0.46
CYP3A4 P08684 1/20 0.46
GFER P55789 1/20 0.46
ALOX15 P16050 1/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL19974739 0.96 CYP2D6 (0.50) CYP2D6CYP2C19ALDH1A1CYP2C9TSHR
SCHEMBL21176173 0.96 CYP2D6 (0.50) CYP2D6CYP2C19ALDH1A1CYP2C9TSHR
SCHEMBL21183538 0.88 P2RX7 (0.50) CYP2D6CYP2C19ALDH1A1CYP2C9TSHR
SCHEMBL19974758 0.88 P2RX7 (0.52) CYP2D6CYP2C19ALDH1A1CYP2C9TSHR
Hydrochloric Acid SCHEMBL19975340 0.87 P2RX7 (0.49) CYP2D6CYP2C19ALDH1A1CYP2C9TSHR
SCHEMBL21183595 0.86 P2RX7 (0.51) CYP2D6CYP2C19ALDH1A1CYP2C9TSHR
SCHEMBL21176179 0.86 CYP2C19 (0.50) CYP2D6CYP2C19ALDH1A1CYP2C9TSHR
SCHEMBL19974765 0.85 ALDH1A1 (0.54) CYP2D6CYP2C19ALDH1A1CYP2C9TSHR
SCHEMBL21176262 0.84 TSHR (0.53) CYP2D6CYP2C19ALDH1A1CYP2C9TSHR
SCHEMBL21176272 0.84 P2RX7 (0.52) CYP2D6CYP2C19ALDH1A1CYP2C9TSHR

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 7 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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO 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 CYP2D6 798/4885CYP2C19 3198/4885ALDH1A1 2271/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CYP2D6 562/4885CYP2C19 3143/4885ALDH1A1 2673/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CYP2D6 798/4885CYP2C19 3198/4885ALDH1A1 2271/4885

“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.