SCHEMBL19974788

SCHEMBL19974788

COC(=O)C1CCC(=O)N1CC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.43
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX7 Q99572 2/20 0.36
FKBP1A P62942 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL19975273 0.81 ACE (0.41) KMT2AMEN1POLBP2RX7
SCHEMBL2576673 0.81 P2RX7 (0.51) P2RX7
SCHEMBL2576672 0.81 P2RX7 (0.51) P2RX7
SCHEMBL19975087 0.78 PTGER4 (0.35) KMT2AMEN1P2RX7RAB9A
SCHEMBL16515479 0.76 KMT2A (0.41) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL10560158 0.76 KMT2A (0.41) ALDH1A1KMT2ACYP2C9CYP2C19P2RX7
SCHEMBL10338892 0.76 KMT2A (0.41) KMT2ACYP2C9CYP2C19P2RX7SMN1; SMN2
SCHEMBL983163 0.76 KMT2A (0.41) ALDH1A1KMT2AMEN1CYP2C9CYP2C19
SCHEMBL19974822 0.75 HPGD (0.37) ALDH1A1KMT2AKDM4EPOLBP2RX7
SCHEMBL10559588 0.75 KMT2A (0.40) ALDH1A1KMT2APOLBTDP1CYP2C9

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 CYP3A4 2207/4885ALDH1A1 2271/4885MAPK1 3870/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C CYP3A4 1986/4885ALDH1A1 2673/4885MAPK1 4083/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C CYP3A4 2207/4885ALDH1A1 2271/4885MAPK1 3870/4885

“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.