SCHEMBL21176284

SCHEMBL21176284

O=C(NCC1CC1)C(=O)C1CCC(=O)N1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.49
MTNR1A P48039 1/20 0.40
RIPK1 Q13546 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
CYP2C19 P33261 2/20 0.39
EPHX1 P07099 1/20 0.37
ACHE P22303 2/20 0.37
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL23758454 0.80 HPGD (0.47) MTNR1AHDAC1
SCHEMBL19975193 0.80 HPGD (0.47) MTNR1AHDAC1
SCHEMBL21176237 0.80 P2RX7 (0.52) P2RX7HDAC6HDAC1CYP2C19ACHE
SCHEMBL21176371 0.80 P2RX7 (0.52) P2RX7HDAC6HDAC1CYP2C19ACHE
SCHEMBL19975410 0.80 P2RX7 (0.52) P2RX7HDAC6HDAC1CYP2C19ACHE
SCHEMBL19974671 0.79 P2RX7 (0.49) P2RX7MTNR1AHDAC6HDAC1HDAC8
SCHEMBL21183591 0.78 ALDH1A1 (0.57) P2RX7MTNR1ASMN1; SMN2CYP2C19ACHE
SCHEMBL289579 0.76 P2RX7 (0.51) P2RX7HDAC6
SCHEMBL289664 0.76 P2RX7 (0.51) P2RX7HDAC6
SCHEMBL630463 0.76 P2RX7 (0.51) P2RX7HDAC6

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 339/4885MTNR1A 734/4885RIPK1 3570/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C P2RX7 564/4885MTNR1A 1185/4885RIPK1 3467/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885MTNR1A 734/4885RIPK1 3570/4885

“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.