SCHEMBL21783025

SCHEMBL21783025

COC(=O)c1cnc2c(c1)C[C@@](C)(c1ccc(F)cc1)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.43
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD11B1 P28845 1/20 0.35
ATM Q13315 1/20 0.35
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
GABRA5 P31644 1/20 0.35
MAP2K4 P45985 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL21783026 1.00 NPY5R (0.43) NPY5RKDM4EMAPK1MAPTNPC1
SCHEMBL21772816 1.00 NPY5R (0.43) NPY5RKDM4EMAPK1MAPTNPC1
SCHEMBL21783012 0.89 HDAC3 (0.40) NPY5RMAPK1MAPTNPC1RAB9A
SCHEMBL21783066 0.89 HDAC3 (0.40) NPY5RMAPK1MAPTNPC1RAB9A
SCHEMBL21783071 0.89 HDAC3 (0.40) NPY5RMAPK1MAPTNPC1RAB9A
SCHEMBL21782983 0.89 MAPT (0.41) KDM4EMAPK1MAPTNPC1RAB9A
SCHEMBL21783065 0.89 MAPT (0.41) KDM4EMAPK1MAPTNPC1RAB9A
SCHEMBL21783056 0.89 MAPT (0.41) KDM4EMAPK1MAPTNPC1RAB9A
SCHEMBL21783061 0.88 KMT2A (0.39) KDM4EMAPK1NPC1RAB9AMEN1
SCHEMBL21772830 0.87 HCAR2 (0.37) NPY5RKDM4EMAPTRAB9AHTT

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
CN-113788825-B Heteroaromatic compounds as VANIN inhibitors 勃林格殷格翰国际有限公司 2024-06-04 CN disclosed
EP-3844161-B1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2022-11-09 EP disclosed
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
WO-2020043658-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 WO 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 NPY5R 3522/4885KDM4E 3614/4885MAPK1 2584/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH NPY5R 3522/4885KDM4E 3614/4885MAPK1 2584/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH NPY5R 3522/4885KDM4E 3614/4885MAPK1 2584/4885

“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.