Sugi Predict

Sugi Predict / Compounds / SCHEMBL984665

SCHEMBL984665

SCHEMBL984665

CC(C)(C)OC(=O)Nc1ccc(C2CC(=O)N(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ GPBAR1 Q8TDU6 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ GAA P10253 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ STAT6 P42226 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ NAMPT P43490 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.41

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
SCHEMBL29537418 1.00 NPY1R (0.49) NPY1RALDH1A1GPBAR1POLBSMN1; SMN2
SCHEMBL29048164 0.78 SMN1; SMN2 (0.57) NPY1RALDH1A1POLBSMN1; SMN2GAA
SCHEMBL31566759 0.77 KMT2A (0.46) ALDH1A1GPBAR1POLBSMN1; SMN2GAA
SCHEMBL3602720 0.77 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2GAACYP1A2
SCHEMBL25890038 0.76 ALDH1A1 (0.62) ALDH1A1GPBAR1POLBSMN1; SMN2GAA
SCHEMBL29158183 0.75 GPBAR1 (0.59) ALDH1A1GPBAR1POLBSMN1; SMN2GAA
SCHEMBL29158182 0.75 GPBAR1 (0.59) ALDH1A1GPBAR1POLBSMN1; SMN2GAA
SCHEMBL1990244 0.75 NPY1R (0.43) NPY1RALDH1A1KMT2AL3MBTL1DRD2
SCHEMBL12640683 0.74 CYP19A1 (0.62) ALDH1A1GPBAR1POLBSMN1; SMN2GAA
SCHEMBL31566559 0.74 ALDH1A1 (0.45) ALDH1A1GPBAR1POLBSMN1; SMN2GAA

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 20 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-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
EP-2257545-B1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2011-08-31 — — EP 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
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 — — US disclosed
EP-2257545-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2010-12-08 — — EP disclosed
WO-2009115427-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-09-24 — — 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 (6 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 3/4885ALDH1A1 440/4885GPBAR1 27/4885
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF SLC6A3, MAOB, TPH2 NPY1R 67/4885ALDH1A1 837/4885GPBAR1 1162/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPY1R 3/4885ALDH1A1 440/4885GPBAR1 27/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPY1R 3/4885ALDH1A1 440/4885GPBAR1 27/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R NPY1R 3/4885ALDH1A1 440/4885GPBAR1 27/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R NPY1R 3/4885ALDH1A1 440/4885GPBAR1 27/4885

“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.