SCHEMBL1992473

SCHEMBL1992473

CC(C)(C)OC(=O)N1CCCC1Cc1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.52
FPR2 P25090 1/20 0.52
KMT2A Q03164 2/20 0.48
UCHL1 P09936 1/20 0.45
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
NPC1 O15118 1/20 0.43
OPRD1 P41143 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
USP30 Q70CQ3 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM1A O60341 1/20 0.41
ATM Q13315 2/20 0.41
MEN1 O00255 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
SCHEMBL1992474 1.00 FPR3 (0.52) FPR3FPR2KMT2AUCHL1NR1H2
SCHEMBL10132334 0.89 NPSR1 (0.50) FPR3FPR2KMT2ANR1H2NR1H3
SCHEMBL10132250 0.88 CCR3 (0.47) NR1H2NR1H3NPC1
SCHEMBL23478097 0.88 CCR3 (0.47) NR1H2NR1H3NPC1
SCHEMBL10132293 0.88 ALDH1A1 (0.51) KMT2ANR1H2NR1H3NPC1OPRD1
SCHEMBL698422 0.87 NR1H2 (0.54) KMT2ANR1H2NR1H3OPRD1KDM1A
SCHEMBL698218 0.87 NR1H2 (0.54) KMT2ANR1H2NR1H3OPRD1KDM1A
SCHEMBL27854990 0.87 NR1H2 (0.54) KMT2ANR1H2NR1H3OPRD1KDM1A
SCHEMBL3638252 0.86 KLK7 (0.44) FPR3FPR2KMT2ANR1H2NR1H3
SCHEMBL10132543 0.85 KCNH2 (0.48) NR1H2NR1H3NPC1OPRD1ALDH1A1

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 17 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
US-11697636-B2 Substituted benzamides HOFFMANN-LA ROCHE INC. (US) 2023-07-11 US disclosed
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
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-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
US-20160264596-A1 SUBSTITUTED BENZAMIDES HOFFMANN-LA ROCHE INC. 2016-09-15 US 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-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 FPR3 3232/4885FPR2 2990/4885KMT2A 846/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R FPR3 3232/4885FPR2 2990/4885KMT2A 846/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R FPR3 3232/4885FPR2 2990/4885KMT2A 846/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R FPR3 3232/4885FPR2 2990/4885KMT2A 846/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R FPR3 3232/4885FPR2 2990/4885KMT2A 846/4885

“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.