SCHEMBL21176272

SCHEMBL21176272

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.52
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2D6 P10635 2/20 0.49
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.47
OPRL1 P41146 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
USP2 O75604 1/20 0.45
CYP3A4 P08684 1/20 0.44

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
SCHEMBL21183531 0.91 P2RX7 (0.51) P2RX7CYP2C9CYP2C19TSHRALDH1A1
Hydrochloric Acid SCHEMBL19974706 0.89 P2RX7 (0.50) P2RX7CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL19974758 0.89 P2RX7 (0.52) P2RX7CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL21183595 0.88 P2RX7 (0.51) P2RX7CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL19975579 0.87 P2RX7 (0.50) P2RX7CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL21183538 0.87 P2RX7 (0.50) P2RX7CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL21183533 0.86 TSHR (0.48) P2RX7CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL21183536 0.86 TSHR (0.48) P2RX7CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL19975067 0.86 P2RX7 (0.49) P2RX7CYP2C9CYP2C19TSHRALDH1A1
Hydrochloric Acid SCHEMBL19975340 0.86 P2RX7 (0.49) P2RX7CYP2C9CYP2C19TSHRALDH1A1

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 P2RX7 339/4885CYP2C9 4146/4885CYP2C19 3198/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C P2RX7 564/4885CYP2C9 4061/4885CYP2C19 3143/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885CYP2C9 4146/4885CYP2C19 3198/4885

“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.