SCHEMBL21782979

SCHEMBL21782979

COC(=O)c1cnc2c(c1)CCC(C)(C)N2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.40
MAPK1 P28482 3/20 0.38
ATM Q13315 1/20 0.38
CRBN Q96SW2 5/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DDB1 Q16531 2/20 0.36
PSMD14 O00487 1/20 0.36
MAPT P10636 2/20 0.34
TRPA1 O75762 1/20 0.34
POLB P06746 1/20 0.34
CYP11B2 P19099 1/20 0.34
SPR P35270 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL21772884 0.86 MAPK1 (0.40) NNMTMAPK1ATMCRBNKDM4E
SCHEMBL30903478 0.85 CRBN (0.37) NNMTMAPK1ATMCRBNKDM4E
SCHEMBL21772859 0.85 CRBN (0.37) NNMTMAPK1ATMCRBNKDM4E
SCHEMBL21783039 0.85 NNMT (0.42) NNMTMAPK1CRBNKDM4EMAPT
SCHEMBL30903477 0.82 OPRM1 (0.38) NNMTMAPK1CRBNKDM4EL3MBTL1
SCHEMBL21772873 0.82 OPRM1 (0.38) NNMTMAPK1CRBNKDM4EL3MBTL1
SCHEMBL25311098 0.78 CRBN (0.52) NNMTCRBN
SCHEMBL13332908 0.77 NNMT (0.66) NNMTMAPK1ATMKDM4EL3MBTL1
SCHEMBL21783035 0.77 NNMT (0.45) NNMTCRBNKDM4EMAPTALDH1A1
SCHEMBL20722588 0.75 NNMT (0.68) NNMTMAPK1ATMKDM4EL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2021-03-04 US disclosed
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-15 US disclosed
US-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-03-05 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-20200069663-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH NNMT 2142/4885MAPK1 2584/4885ATM 4674/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH NNMT 2142/4885MAPK1 2584/4885ATM 4674/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH NNMT 2142/4885MAPK1 2584/4885ATM 4674/4885

“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.