SCHEMBL29446491

SCHEMBL29446491

CC(C)(C)OC(=O)Nc1ccc(Br)cc1NC(=O)CC(=O)c1ccnc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.39
AAK1 Q2M2I8 9/20 0.38
CYP17A1 P05093 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.36
FPR2 P25090 1/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
AURKB Q96GD4 1/20 0.35

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
SCHEMBL19196276 0.86 GRM4 (0.45) ATRAAK1SMN1; SMN2L3MBTL1EGFR
SCHEMBL14740849 0.85 AAK1 (0.39) AAK1CYP17A1KCNQ4KCNQ5
SCHEMBL17336575 0.85 RAB9A (0.43) NPC1RAB9ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL16407453 0.82 AAK1 (0.39) AAK1CYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL16407455 0.81 AAK1 (0.39) AAK1ALDH1A1KCNQ4KCNQ5
SCHEMBL14740751 0.80 MEN1 (0.47) AAK1NPC1RAB9AALDH1A1
SCHEMBL1519234 0.78 AAK1 (0.49) AAK1CYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL30175900 0.78 AAK1 (0.49) AAK1CYP17A1NPC1RAB9ASMN1; SMN2
SCHEMBL14753361 0.78 GSK3B (0.44) AAK1NPC1RAB9ASMN1; SMN2KCNQ4
SCHEMBL16407456 0.78 AAK1 (0.39) AAK1ALDH1A1KCNQ4KCNQ5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637436-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2026-05-26 US disclosed
US-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-13 US disclosed
US-11447453-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2022-09-20 US disclosed
EP-3154954-B1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF SANFORD BURNHAM MED RES INST (US) 2022-02-09 EP 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 (3 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-11447453-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 ATR 2385/4885AAK1 684/4885CYP17A1 4690/4885
US-20230113588-A1 METABOTROPIC GLUTAMATE RECEPTOR NEGATIVE ALLOSTERIC MODULATORS (NAMS) AND USES THEREOF GRM3, GRM2, GRM1 ATR 2385/4885AAK1 684/4885CYP17A1 4690/4885
US-12637436-B2 Metabotropic glutamate receptor negative allosteric modulators (NAMs) and uses thereof GRM3, GRM2, GRM1 ATR 3164/4885AAK1 2227/4885CYP17A1 4162/4885

“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.