SCHEMBL21176244

SCHEMBL21176244

O=C(NC1CC1)C(=O)C1CCC(=O)N1Cc1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.53
SIGMAR1 Q99720 4/20 0.49
EPHX2 P34913 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
USP2 O75604 1/20 0.46
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 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
SCHEMBL21183578 0.88 P2RX7 (0.51) P2RX7SIGMAR1CYP2D6CYP2C9TSHR
SCHEMBL21183582 0.88 P2RX7 (0.51) P2RX7SIGMAR1CYP2D6CYP2C9TSHR
SCHEMBL19975028 0.87 LMNA (0.52) P2RX7SIGMAR1MAPTHTTALDH1A1
SCHEMBL21183573 0.87 KMT2A (0.47) CYP3A4CYP2C9CYP2C19HTTALDH1A1
SCHEMBL19974972 0.85 P2RX7 (0.56) P2RX7SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL19974981 0.84 P2RX7 (0.49) P2RX7SIGMAR1EPHX2GAAKMT2A
SCHEMBL21183549 0.84 EPHX2 (0.50) P2RX7EPHX2ALDH1A1MEN1GAA
SCHEMBL19975420 0.83 P2RX7 (0.46) P2RX7SIGMAR1MAPTHTTALDH1A1
SCHEMBL1612852 0.82 P2RX7 (0.58) P2RX7SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL288849 0.82 P2RX7 (0.58) P2RX7SIGMAR1CYP1A2CYP3A4CYP2D6

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 339/4885SIGMAR1 1966/4885EPHX2 1455/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C P2RX7 564/4885SIGMAR1 2229/4885EPHX2 1317/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885SIGMAR1 1966/4885EPHX2 1455/4885

“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.