SCHEMBL21176341

SCHEMBL21176341

O=C(NCC1CC1)C(=O)C1CCCC(=O)N1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.53
CAPN1 P07384 1/20 0.53
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
ACHE P22303 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL21176237 0.93 P2RX7 (0.52) P2RX7CAPN1ACHEGAAKMT2A
SCHEMBL19975410 0.93 P2RX7 (0.52) P2RX7CAPN1ACHEGAAKMT2A
SCHEMBL21176371 0.93 P2RX7 (0.52) P2RX7CAPN1ACHEGAAKMT2A
SCHEMBL21176291 0.82 ALDH1A1 (0.53) P2RX7ACHEGAAKMT2A
SCHEMBL19975579 0.81 P2RX7 (0.50) P2RX7ACHEGAAKMT2AALOX15
SCHEMBL21183591 0.81 ALDH1A1 (0.57) P2RX7HCRTR1HCRTR2ACHETSHR
SCHEMBL21176318 0.81 POLB (0.57) P2RX7HCRTR2GAAKMT2AALOX15
SCHEMBL288455 0.80 CAPN1 (0.63) P2RX7CAPN1HCRTR1HCRTR2
SCHEMBL1612123 0.80 CAPN1 (0.63) P2RX7CAPN1HCRTR1HCRTR2
SCHEMBL21183557 0.80 P2RX7 (0.53) P2RX7GAAKMT2AALOX15TSHR

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 339/4885CAPN1 1497/4885HCRTR1 1329/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C P2RX7 564/4885CAPN1 1555/4885HCRTR1 2405/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C P2RX7 339/4885CAPN1 1497/4885HCRTR1 1329/4885

“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.