SCHEMBL21783073

SCHEMBL21783073

CC1(c2ccccc2)CCc2cc(C(=O)O)cnc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.41
NNMT P40261 2/20 0.39
MGAM O43451 1/20 0.38
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
RXRA P19793 2/20 0.36
VNN1 O95497 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
SRD5A1 P18405 1/20 0.34
SRD5A2 P31213 1/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
GRM1 Q13255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 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
SCHEMBL21772873 0.88 OPRM1 (0.38) CRBNNNMTKDM4EMAPK1KMT2A
SCHEMBL30903477 0.88 OPRM1 (0.38) CRBNNNMTKDM4EMAPK1KMT2A
SCHEMBL21783076 0.87 MGAM (0.39) CRBNNNMTMGAMHPGDGFER
SCHEMBL21783075 0.86 VNN1 (0.38) CRBNNNMTRXRAVNN1ALDH1A1
SCHEMBL21783039 0.81 NNMT (0.42) CRBNNNMTMGAMRXRAALDH1A1
SCHEMBL21783035 0.79 NNMT (0.45) CRBNNNMTRXRAALDH1A1KDM4E
SCHEMBL21783027 0.77 HDAC3 (0.40) HPGDALDH1A1KDM4EMAPTHDAC3
SCHEMBL21783047 0.77 NNMT (0.39) CRBNNNMTRXRAALDH1A1KDM4E
SCHEMBL21772830 0.77 HCAR2 (0.37) CRBNNNMTHPGDALDH1A1KDM4E
SCHEMBL21783072 0.77 HCAR2 (0.37) NNMTRXRASRD5A1SRD5A2MAPK1

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 CRBN 1662/4885NNMT 2142/4885MGAM 2949/4885
US-20210059992-A1 HETEROAROMATIC COMPOUNDS AS VANIN INHIBITORS VHL, FANCI, PAH CRBN 1662/4885NNMT 2142/4885MGAM 2949/4885
US-10864201-B2 Heteroaromatic compounds as Vanin inhibitors VHL, FANCI, PAH CRBN 1662/4885NNMT 2142/4885MGAM 2949/4885

“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.