SCHEMBL21783075

SCHEMBL21783075

CC1(c2cncnc2)CCc2cc(C(=O)O)cnc2N1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 7/20 0.38
NNMT P40261 3/20 0.38
HCAR2 Q8TDS4 4/20 0.35
CRBN Q96SW2 1/20 0.34
RXRA P19793 3/20 0.33
AMPD3 Q01432 1/20 0.33
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
GRM1 Q13255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL21783073 0.86 CRBN (0.41) VNN1NNMTCRBNRXRARXRB
SCHEMBL21783039 0.80 NNMT (0.42) NNMTHCAR2CRBNRXRARXRB
SCHEMBL21783035 0.78 NNMT (0.45) NNMTCRBNRXRARXRBRXRG
SCHEMBL21783047 0.76 NNMT (0.39) NNMTHCAR2CRBNRXRARXRB
SCHEMBL21772873 0.75 OPRM1 (0.38) NNMTCRBNKDM4E
SCHEMBL30903477 0.75 OPRM1 (0.38) NNMTCRBNKDM4E
SCHEMBL21783076 0.73 MGAM (0.39) VNN1NNMTCRBNKDM4EMAPT
SCHEMBL30903482 0.73 VNN1 (0.50) VNN1
SCHEMBL30903481 0.73 VNN1 (0.50) VNN1
SCHEMBL21772931 0.72 NNMT (0.38) NNMTHCAR2RXRARXRBRXRG

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 4 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
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 VNN1 23/4885NNMT 2142/4885HCAR2 929/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH VNN1 23/4885NNMT 2142/4885HCAR2 929/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH VNN1 23/4885NNMT 2142/4885HCAR2 929/4885

“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.