SCHEMBL19975031

SCHEMBL19975031

CC(NC1CCCCC1)C(O)C(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
EPHX1 P07099 10/20 0.45
EPHX2 P34913 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL19974756 0.84 ATM (0.44) ATMEPHX1EPHX2NPC1RAB9A
SCHEMBL26980521 0.81 EPHX1 (0.58) ATMEPHX1EPHX2NPC1RAB9A
SCHEMBL14602767 0.81 EPHX1 (0.58) ATMEPHX1EPHX2NPC1RAB9A
SCHEMBL13209041 0.81 EPHX1 (0.58) ATMEPHX1EPHX2NPC1RAB9A
SCHEMBL10531891 0.79 EPHX1 (0.54) ATMEPHX1EPHX2NPC1RAB9A
SCHEMBL19974689 0.79 EPHX1 (0.55) ATMEPHX1EPHX2RAB9ASMN1; SMN2
SCHEMBL28315324 0.79 EPHX1 (0.44) ATMEPHX1EPHX2NPC1RAB9A
SCHEMBL15648345 0.78 ATM (0.56) ATMEPHX1EPHX2NPC1RAB9A
SCHEMBL15648344 0.78 ATM (0.56) ATMEPHX1EPHX2NPC1RAB9A
SCHEMBL19974722 0.78 EPHX1 (0.45) ATMEPHX1KDM4EHPGD

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 8 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
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO 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 ATM 4579/4885EPHX1 372/4885EPHX2 1455/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C ATM 4543/4885EPHX1 449/4885EPHX2 1317/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C ATM 4579/4885EPHX1 372/4885EPHX2 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.