SCHEMBL1990308

SCHEMBL1990308

CC(C)(C)OC(=O)N1CCOC(c2ccc(CN)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
PDE4B Q07343 1/20 0.41
NR1H2 P55055 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
RECQL P46063 1/20 0.38
PREP P48147 1/20 0.38
NAMPT P43490 2/20 0.38
USP30 Q70CQ3 2/20 0.38
RORC P51449 1/20 0.37
GRIN2B Q13224 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL1992702 1.00 SMN1; SMN2 (0.42) SMN1; SMN2USP2PDE4BNR1H2JAK2
SCHEMBL1990310 1.00 SMN1; SMN2 (0.42) SMN1; SMN2USP2PDE4BNR1H2JAK2
SCHEMBL1992838 0.87 NR1H2 (0.45) SMN1; SMN2USP2PDE4BNR1H2RECQL
SCHEMBL503546 0.87 NR1H2 (0.45) SMN1; SMN2USP2PDE4BNR1H2RECQL
SCHEMBL503547 0.87 NR1H2 (0.45) SMN1; SMN2USP2PDE4BNR1H2RECQL
SCHEMBL323889 0.85 USP2 (0.46) SMN1; SMN2USP2PDE4BRECQLNAMPT
SCHEMBL497161 0.85 USP2 (0.46) SMN1; SMN2USP2PDE4BRECQLNAMPT
Hydrochloric Acid SCHEMBL27861758 0.85 GRIN2B (0.43) PDE4BRECQLGRIN2B
SCHEMBL917038 0.85 GPR119 (0.52) SMN1; SMN2USP2PDE4BRECQLUSP30
SCHEMBL917040 0.85 GPR119 (0.52) SMN1; SMN2USP2PDE4BRECQLUSP30

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 10 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
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
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
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
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 SMN1; SMN2 1965/4885USP2 4393/4885PDE4B 1008/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885USP2 4393/4885PDE4B 1008/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885USP2 4393/4885PDE4B 1008/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885USP2 4393/4885PDE4B 1008/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885USP2 4393/4885PDE4B 1008/4885

“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.