SCHEMBL1989607

SCHEMBL1989607

CC(C)(C)OC(=O)N1CC(O)C(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ NR3C1 P04150 2/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ RORC P51449 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HTT P42858 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL29538387 1.00 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ANR3C1TP53
SCHEMBL1990469 0.89 USP30 (0.49) SMN1; SMN2NPC1RAB9ANR3C1TP53
SCHEMBL17514225 0.88 RORC (0.52) RORCMEN1KMT2ANPSR1
SCHEMBL31412611 0.88 RORC (0.52) RORCMEN1KMT2ANPSR1
SCHEMBL31412569 0.88 RORC (0.52) RORCMEN1KMT2ANPSR1
SCHEMBL502898 0.81 TP53 (0.59) SMN1; SMN2NPC1RAB9ANR3C1TP53
SCHEMBL502899 0.81 TP53 (0.59) SMN1; SMN2NPC1RAB9ANR3C1TP53
SCHEMBL17542185 0.81 MEN1 (0.60) SMN1; SMN2NPC1RAB9ANR3C1TP53
SCHEMBL17542065 0.80 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ANR3C1TP53
SCHEMBL14454767 0.78 NAMPT (0.59) NR3C1TP53MAPTTHRBMEN1

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 1965/4885NPC1 937/4885RAB9A 1592/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885NPC1 937/4885RAB9A 1592/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885NPC1 937/4885RAB9A 1592/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885NPC1 937/4885RAB9A 1592/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885NPC1 937/4885RAB9A 1592/4885

“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.

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