SCHEMBL21563641

SCHEMBL21563641

CN(C(=O)c1ccccc1)c1cccc(C(=O)N(CC#N)c2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2Br)c1F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.34
NR1H2 P55055 1/20 0.34
GPBAR1 Q8TDU6 9/20 0.33
POLQ O75417 1/20 0.33
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
MLYCD O95822 1/20 0.31
TACR1 P25103 1/20 0.30

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
SCHEMBL23716448 0.92 GPBAR1 (0.36) GPBAR1POLQMLYCD
SCHEMBL21563712 0.82 RXFP1 (0.39) POLQ
SCHEMBL12348556 0.82 GPBAR1 (0.38) NR1H3NR1H2GPBAR1
SCHEMBL16986302 0.82 NR1H3 (0.38) NR1H3NR1H2GPBAR1TACR1
SCHEMBL16986375 0.81 GPBAR1 (0.36) NR1H3NR1H2GPBAR1
SCHEMBL23716793 0.80 GAA (0.38)
SCHEMBL12548396 0.80 NR1H3 (0.38) NR1H3NR1H2GPBAR1OPRM1
SCHEMBL12548126 0.80 NR1H3 (0.38) NR1H3NR1H2GPBAR1MLYCD
SCHEMBL28992868 0.80 GPBAR1 (0.36) NR1H3NR1H2GPBAR1
SCHEMBL30266971 0.79 GPBAR1 (0.35) GPBAR1POLQMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238126-A1 Benzamide Compound and Use Thereof METISA BIOTECHNOLOGY CO.,LTD. (CN) 2021-08-05 US disclosed
WO-2019214588-A1 BENZAMIDE COMPOUND AND APPLICATION THEREOF 沈阳化工大学 (CN) 2019-11-14 WO 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-20210238126-A1 Benzamide Compound and Use Thereof TMBIM6, BCHE, DDT NR1H3 3220/4885NR1H2 3146/4885GPBAR1 1655/4885

“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.