SCHEMBL1990244

SCHEMBL1990244

CC(C)(C)OC(=O)Nc1ccc(C2(C)CC(=O)N(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
DRD2 P14416 1/20 0.42
NAMPT P43490 2/20 0.41
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
GLS O94925 1/20 0.39
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP17A1 P05093 1/20 0.39
P2RX7 Q99572 1/20 0.39
SCD O00767 1/20 0.38
GRM4 Q14833 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL984847 0.86 NAMPT (0.42) NPY1RKMT2AL3MBTL1PTGDR2DRD2
SCHEMBL24126788 0.78 ELANE (0.56) KMT2APTGDR2GRM2
SCHEMBL31567037 0.78 OPRD1 (0.39) KMT2AL3MBTL1PTGDR2GRM2ALDH1A1
SCHEMBL1990761 0.75 CYP19A1 (0.57) PTGDR2GRM2ALDH1A1
SCHEMBL1990759 0.75 CYP19A1 (0.57) PTGDR2GRM2ALDH1A1
SCHEMBL984665 0.75 NPY1R (0.49) NPY1RKMT2AL3MBTL1PTGDR2DRD2
SCHEMBL29537418 0.75 NPY1R (0.49) NPY1RKMT2AL3MBTL1PTGDR2DRD2
SCHEMBL8233154 0.74 LMNA (0.41) GRM2ALDH1A1LMNA
SCHEMBL31566678 0.74 PTGDR2 (0.41) PTGDR2ALDH1A1
SCHEMBL27376642 0.72 NPY1R (0.54) NPY1RDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
WO-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
EP-3187490-B1 SUBSTITUTED BENZAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2022-04-06 EP disclosed
US-20210061760-A1 SUBSTITUTED BENZAMIDES HOFFMANN LA ROCHE (US) 2021-03-04 US disclosed
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 US disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
EP-3187490-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-9452980-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2016-09-27 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US disclosed
EP-2516392-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 US disclosed
US-20110152245-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (5 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-20160264596-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPY1R 3/4885KMT2A 846/4885L3MBTL1 3261/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPY1R 3/4885KMT2A 846/4885L3MBTL1 3261/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPY1R 3/4885KMT2A 846/4885L3MBTL1 3261/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPY1R 3/4885KMT2A 846/4885L3MBTL1 3261/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R NPY1R 3/4885KMT2A 846/4885L3MBTL1 3261/4885

“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.