SCHEMBL21783047

SCHEMBL21783047

CCC1(C)CCc2cc(C(=O)O)cnc2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.39
RXRA P19793 7/20 0.36
RXRB P28702 4/20 0.36
RXRG P48443 4/20 0.36
HCAR3 P49019 4/20 0.35
PGR P06401 2/20 0.34
AR P10275 2/20 0.34
CRBN Q96SW2 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
BLM P54132 1/20 0.33
GRM1 Q13255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 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
SCHEMBL21772859 0.86 CRBN (0.37) NNMTPGRARCRBNKDM4E
SCHEMBL30903478 0.86 CRBN (0.37) NNMTPGRARCRBNKDM4E
SCHEMBL21783039 0.83 NNMT (0.42) NNMTRXRARXRBRXRGHCAR3
SCHEMBL21783035 0.78 NNMT (0.45) NNMTRXRARXRBRXRGHCAR3
SCHEMBL21783073 0.77 CRBN (0.41) NNMTRXRARXRBRXRGHCAR3
SCHEMBL21783075 0.76 VNN1 (0.38) NNMTRXRARXRBRXRGCRBN
SCHEMBL21772931 0.75 NNMT (0.38) NNMTRXRARXRBRXRGHCAR3
SCHEMBL22159524 0.70 CRBN (0.57) NNMTCRBN
SCHEMBL29809267 0.70 CRBN (0.57) NNMTCRBN
SCHEMBL21782979 0.69 NNMT (0.40) NNMTCRBNMAPTKDM4EALDH1A1

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 2142/4885RXRA 3971/4885RXRB 3875/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH NNMT 2142/4885RXRA 3971/4885RXRB 3875/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH NNMT 2142/4885RXRA 3971/4885RXRB 3875/4885

“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.