SCHEMBL1994022

SCHEMBL1994022

Brc1ccc(C[C@H]2CCNC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.52
HRH4 Q9H3N8 3/20 0.44
HRH3 Q9Y5N1 3/20 0.44
SLC6A4 P31645 4/20 0.42
EED O75530 1/20 0.40
REN P00797 1/20 0.39
KDM1A O60341 1/20 0.38
EP300 Q09472 1/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL1994019 1.00 GBA1 (0.52) GBA1HRH4HRH3SLC6A4EED
SCHEMBL29890511 1.00 GBA1 (0.52) GBA1HRH4HRH3SLC6A4EED
Hydrochloric Acid SCHEMBL26187178 0.98 GBA1 (0.50) GBA1HRH4HRH3SLC6A4EED
SCHEMBL578602 0.89 GBA1 (0.66) GBA1HRH4HRH3SLC6A4KDM1A
SCHEMBL26187362 0.84 GBA1 (0.39) GBA1SLC6A4SLC6A2
SCHEMBL4308696 0.81 GBA1 (0.52) GBA1HRH4HRH3SLC6A4SLC6A2
SCHEMBL1811296 0.81 GBA1 (0.52) GBA1HRH4HRH3SLC6A4SLC6A2
SCHEMBL1814200 0.81 GBA1 (0.52) GBA1HRH4HRH3SLC6A4EED
SCHEMBL27922962 0.81 GBA1 (0.52) GBA1HRH4HRH3EEDCHRM2
SCHEMBL4892499 0.81 GBA1 (0.78) GBA1HRH4HRH3SLC6A4EED

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 GBA1 145/4885HRH4 181/4885HRH3 136/4885
US-20210061760-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R GBA1 145/4885HRH4 181/4885HRH3 136/4885
US-20110152245-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R GBA1 145/4885HRH4 181/4885HRH3 136/4885
US-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R GBA1 145/4885HRH4 181/4885HRH3 136/4885
US-11697636-B2 Substituted benzamides TAAR1, TAAR5, NPY1R GBA1 145/4885HRH4 181/4885HRH3 136/4885

“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.