SCHEMBL21183571

SCHEMBL21183571

Cc1ccccc1CN1C(=O)CCC1C(=O)C(=O)NC1CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.57
GAA P10253 2/20 0.50
CAPN1 P07384 2/20 0.50
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
CYP2C9 P11712 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.46
GFER P55789 1/20 0.46
HPGD P15428 1/20 0.43

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
SCHEMBL21176228 0.87 HTT (0.61) P2RX7GAACAPN1KMT2AMAPT
SCHEMBL19975368 0.84 P2RX7 (0.59) P2RX7GAAKMT2AMAPTHTT
SCHEMBL30063555 0.84 P2RX7 (0.59) P2RX7GAAKMT2AMAPTHTT
SCHEMBL21183578 0.83 P2RX7 (0.51) P2RX7GAACAPN1KMT2AMAPT
SCHEMBL21183582 0.83 P2RX7 (0.51) P2RX7GAACAPN1KMT2AMAPT
SCHEMBL30157493 0.81 P2RX7 (0.54) P2RX7GAACAPN1KMT2AMAPT
SCHEMBL30062891 0.81 P2RX7 (0.62) P2RX7GAAKMT2AMAPTHTT
SCHEMBL19974980 0.81 P2RX7 (0.62) P2RX7GAAKMT2AMAPTHTT
SCHEMBL19974887 0.81 KMT2A (0.63) GAAKMT2AMAPTHTTCYP2C19
SCHEMBL19974802 0.81 KMT2A (0.41) P2RX7GAACAPN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 75/4885CAPN1 1497/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885GAA 75/4885CAPN1 1497/4885

“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.