SCHEMBL1990217

SCHEMBL1990217

CC(C)(C)OC(=O)N1CC[C@H](CCc2ccc(NC(=O)Nc3ccc(Cl)cn3)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FAAH O00519 1/20 0.45
NR3C1 P04150 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
NAMPT P43490 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
FPR2 P25090 1/20 0.41
WNT3A P56704 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
NR1D1 P20393 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
SCHEMBL1990216 1.00 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AL3MBTL1FAAHNR3C1
SCHEMBL503023 0.83 RAB9A (0.50) SMN1; SMN2RAB9AL3MBTL1NR3C1LMNA
SCHEMBL503022 0.83 RAB9A (0.50) SMN1; SMN2RAB9AL3MBTL1NR3C1LMNA
SCHEMBL1990628 0.82 FAAH (0.52) SMN1; SMN2RAB9AFAAHNR3C1TP53
SCHEMBL1990630 0.82 FAAH (0.52) SMN1; SMN2RAB9AFAAHNR3C1TP53
SCHEMBL1759661 0.78 RAB9A (0.45) SMN1; SMN2RAB9AL3MBTL1LMNAKMT2A
SCHEMBL1759657 0.78 RAB9A (0.45) SMN1; SMN2RAB9AL3MBTL1LMNAKMT2A
SCHEMBL20015397 0.77 FAAH (0.66) SMN1; SMN2FAAHLMNAKMT2ATP53
SCHEMBL12609803 0.75 FAAH (0.48) RAB9AL3MBTL1FAAHMAPTNR1D1
SCHEMBL12609802 0.75 FAAH (0.48) RAB9AL3MBTL1FAAHMAPTNR1D1

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 1965/4885RAB9A 1592/4885L3MBTL1 3261/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885RAB9A 1592/4885L3MBTL1 3261/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885RAB9A 1592/4885L3MBTL1 3261/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885RAB9A 1592/4885L3MBTL1 3261/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R SMN1; SMN2 1965/4885RAB9A 1592/4885L3MBTL1 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.