SCHEMBL19975263

SCHEMBL19975263

O=C(NC1CC1)C(=O)C1CCC(=O)N1CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
CYP2C19 P33261 1/20 0.53
TSHR P16473 1/20 0.53
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
SIGMAR1 Q99720 1/20 0.49
HPGD P15428 1/20 0.46
CAPN1 P07384 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
EPHX2 P34913 1/20 0.42
EPHX1 P07099 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41

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
SCHEMBL21183578 0.88 P2RX7 (0.51) ALDH1A1CYP2C19TSHRSIGMAR1CAPN1
SCHEMBL21183582 0.88 P2RX7 (0.51) ALDH1A1CYP2C19TSHRSIGMAR1CAPN1
SCHEMBL19975560 0.84 ALDH1A1 (0.60) ALDH1A1CYP2C19TSHRUSP2SMN1; SMN2
SCHEMBL21183591 0.83 ALDH1A1 (0.57) ALDH1A1CYP2C19TSHRUSP2SMN1; SMN2
SCHEMBL19974981 0.83 P2RX7 (0.49) SMN1; SMN2SIGMAR1CAPN1NPC1RAB9A
SCHEMBL21183549 0.83 EPHX2 (0.50) ALDH1A1SMN1; SMN2CAPN1NPC1RAB9A
SCHEMBL19974920 0.82 ALDH1A1 (0.62) ALDH1A1CYP2C19TSHRUSP2SMN1; SMN2
SCHEMBL17951053 0.82 ALDH1A1 (0.62) ALDH1A1CYP2C19TSHRUSP2SMN1; SMN2
SCHEMBL21183583 0.80 P2RX7 (0.47) ALDH1A1SMN1; SMN2SIGMAR1CAPN1KMT2A
SCHEMBL21183550 0.80 CAPN1 (0.47) ALDH1A1CYP2C19TSHRSMN1; SMN2SIGMAR1

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 8 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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN 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 ALDH1A1 2271/4885CYP2C19 3198/4885TSHR 4378/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ALDH1A1 2673/4885CYP2C19 3143/4885TSHR 4240/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ALDH1A1 2271/4885CYP2C19 3198/4885TSHR 4378/4885

“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.