SCHEMBL21176307

SCHEMBL21176307

CC(NC1CCC(F)(F)CC1)C(O)C(=O)NCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
KDM1A O60341 8/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 1/20 0.34
ROCK2 O75116 1/20 0.34
RCOR1 Q9UKL0 1/20 0.33
P2RX7 Q99572 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
IL1B P01584 2/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL19974727 0.84 EPHX1 (0.45) EPHX2TDP1KMT2ASMN1; SMN2
SCHEMBL19974886 0.81 EPHX1 (0.49) EPHX2TDP1KMT2ASMN1; SMN2
SCHEMBL19975163 0.81 KMT2A (0.38) TDP1KMT2AROCK2SMN1; SMN2
SCHEMBL18213837 0.76 P2RX7 (0.39) EPHX2TDP1KMT2AROCK2P2RX7
SCHEMBL19975390 0.76 TDP1 (0.42) TDP1KMT2ASMN1; SMN2
SCHEMBL19975269 0.75 EPHX1 (0.46) EPHX2TDP1KMT2ASMN1; SMN2
SCHEMBL21176352 0.75 EPHX1 (0.46) EPHX2TDP1KMT2ASMN1; SMN2
SCHEMBL19975291 0.74 KMT2A (0.38) KDM1ATDP1KMT2ACYP3A4
SCHEMBL19975162 0.73 KMT2A (0.33) TDP1KMT2AP2RX7SMN1; SMN2IL1B
SCHEMBL19975153 0.71 EPHX1 (0.45) EPHX2TDP1KMT2ASMN1; SMN2

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 EPHX2 1455/4885KDM1A 3057/4885MAOA 1107/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C EPHX2 1317/4885KDM1A 3752/4885MAOA 990/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C EPHX2 1455/4885KDM1A 3057/4885MAOA 1107/4885

“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.