SCHEMBL19974929

SCHEMBL19974929

CC(N)C(O)C(=O)NCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.48
TSHR P16473 1/20 0.48
CYP2D6 P10635 1/20 0.47
EPHX1 P07099 3/20 0.47
REN P00797 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
CA9 Q16790 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
EPHX2 P34913 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL19974699 0.91 TDP1 (0.48) METAP2TSHRCYP2D6EPHX1REN
SCHEMBL8012947 0.85 METAP2 (0.44) METAP2TSHRCYP2D6EPHX1REN
SCHEMBL27770664 0.84 EPHX1 (0.52) TSHRCYP2D6EPHX1CA12CA1
SCHEMBL3220227 0.84 EPHX1 (0.52) TSHRCYP2D6EPHX1CA12CA1
SCHEMBL21176177 0.84 METAP2 (0.56) METAP2TSHRCYP2D6EPHX1REN
SCHEMBL8000791 0.83 ANPEP (0.56) METAP2TSHRCYP2D6EPHX1REN
SCHEMBL19974786 0.82 EPHX1 (0.46) METAP2TSHRCYP2D6EPHX1CA12
SCHEMBL7352599 0.82 METAP2 (0.64) METAP2TSHRCYP2D6EPHX1REN
SCHEMBL19974914 0.82 EPHX1 (0.46) METAP2TSHRCYP2D6EPHX1CA12
SCHEMBL19974844 0.81 METAP2 (0.56) METAP2TSHRCYP2D6EPHX1REN

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 METAP2 585/4885TSHR 4378/4885CYP2D6 798/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C METAP2 560/4885TSHR 4240/4885CYP2D6 562/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C METAP2 585/4885TSHR 4378/4885CYP2D6 798/4885

“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.