SCHEMBL21176237

SCHEMBL21176237

O=C(NCC1CC1)C(=O)[C@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.52
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
TSHR P16473 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP3A4 P08684 1/20 0.45
ACHE P22303 2/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CAPN1 P07384 1/20 0.44
OPRL1 P41146 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
SCHEMBL21176371 1.00 P2RX7 (0.52) P2RX7GAAKMT2AHDAC1HDAC6
SCHEMBL19975410 1.00 P2RX7 (0.52) P2RX7GAAKMT2AHDAC1HDAC6
SCHEMBL21176341 0.93 P2RX7 (0.53) P2RX7GAAKMT2AHDAC1HDAC6
SCHEMBL21176291 0.89 ALDH1A1 (0.53) P2RX7GAAKMT2AALDH1A1ACHE
SCHEMBL19975579 0.88 P2RX7 (0.50) P2RX7GAAKMT2AHDAC1HDAC6
SCHEMBL21183591 0.88 ALDH1A1 (0.57) P2RX7ALDH1A1CYP2C19TSHRACHE
SCHEMBL21176318 0.88 POLB (0.57) P2RX7GAAKMT2AHDAC1ALDH1A1
SCHEMBL21183557 0.86 P2RX7 (0.53) P2RX7GAAKMT2AHDAC1HDAC6
SCHEMBL19974758 0.85 P2RX7 (0.52) P2RX7GAAKMT2AHDAC1HDAC6
SCHEMBL21176380 0.85 KMT2A (0.47) P2RX7GAAKMT2AHDAC1HDAC6

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 6 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

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 339/4885GAA 75/4885KMT2A 4031/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C P2RX7 564/4885GAA 107/4885KMT2A 4177/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885GAA 75/4885KMT2A 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.