SCHEMBL22006649

SCHEMBL22006649

CCNC(=O)N(C1CC1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
EPHX1 P07099 1/20 0.38
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
MCL1 Q07820 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL965813 0.83 CCR5 (0.39) ALDH1A1GAAEPHX1KMT2AL3MBTL1
SCHEMBL970988 0.80 ATM (0.39) ALDH1A1GAAEPHX1KMT2AOPRM1
SCHEMBL966413 0.77 L3MBTL1 (0.41) ALDH1A1GAAEPHX1KMT2AL3MBTL1
SCHEMBL966645 0.75 L3MBTL1 (0.43) ALDH1A1GAAEPHX1KMT2ATSHR
SCHEMBL687588 0.75 ALDH1A1 (0.43) ALDH1A1EPHX1KMT2ATSHRMAPT
SCHEMBL966336 0.74 ATM (0.45) ALDH1A1GAAEPHX1KMT2AOPRM1
SCHEMBL966598 0.74 L3MBTL1 (0.45) ALDH1A1GAAEPHX1KMT2ATSHR
SCHEMBL19027273 0.73 TSHR (0.38) ALDH1A1TSHRL3MBTL1
SCHEMBL969724 0.72 ATM (0.47) ALDH1A1EPHX1KMT2AMAPT
SCHEMBL10536742 0.71 NAAA (0.50) EPHX1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200157086-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2020-05-21 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 (1 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-20200157086-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES CBR3, NR2C2, H1-2 ALDH1A1 765/4885GAA 2280/4885EPHX1 1355/4885

“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.