SCHEMBL1990630

SCHEMBL1990630

CC(C)(C)OC(=O)N1CC[C@H](CCc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NR3C1 P04150 2/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
NR1D1 P20393 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 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
SCHEMBL1990628 1.00 FAAH (0.52) FAAHTP53MAPTTHRBHTT
SCHEMBL30520210 0.90 TP53 (0.54) TP53MAPTTHRBHTTSMN1; SMN2
SCHEMBL20015397 0.84 FAAH (0.66) FAAHTP53HTTSMN1; SMN2NPSR1
SCHEMBL5582918 0.83 HTT (0.49) TP53MAPTTHRBHTTSMN1; SMN2
SCHEMBL1990217 0.82 SMN1; SMN2 (0.46) FAAHTP53MAPTTHRBSMN1; SMN2
SCHEMBL1990216 0.82 SMN1; SMN2 (0.46) FAAHTP53MAPTTHRBSMN1; SMN2
SCHEMBL502898 0.81 TP53 (0.59) TP53MAPTTHRBSMN1; SMN2NR3C1
SCHEMBL502899 0.81 TP53 (0.59) TP53MAPTTHRBSMN1; SMN2NR3C1
SCHEMBL12609802 0.81 FAAH (0.48) FAAHMAPTHTTNR1D1NPC1
SCHEMBL12609803 0.81 FAAH (0.48) FAAHMAPTHTTNR1D1NPC1

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 FAAH 193/4885TP53 4809/4885MAPT 387/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R FAAH 193/4885TP53 4809/4885MAPT 387/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R FAAH 193/4885TP53 4809/4885MAPT 387/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R FAAH 193/4885TP53 4809/4885MAPT 387/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R FAAH 193/4885TP53 4809/4885MAPT 387/4885

“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.