SCHEMBL3618529

SCHEMBL3618529

CC(C)(C)N(Cc1ncc(Br)cc1F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
AGBL2 Q5U5Z8 2/20 0.33
ALOX5AP P20292 3/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRM5 P41594 2/20 0.32
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
RIPK1 Q13546 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
BDKRB1 P46663 1/20 0.31

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
SCHEMBL1284719 0.77 MEN1 (0.39) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL2518702 0.72 RIPK1 (0.40) MEN1KMT2ALMNAALDH1A1ALOX5AP
SCHEMBL2099348 0.72 ALDH1A1 (0.41) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL1256353 0.72 AGBL2 (0.51) MEN1KMT2AALDH1A1AGBL2
SCHEMBL2571779 0.72 AGBL2 (0.42) MEN1KMT2AAGBL2HTTL3MBTL1
SCHEMBL2809625 0.71 LRRK2 (0.36) GRM5
SCHEMBL17467133 0.70 AGBL2 (0.38) MEN1KMT2ALMNAAGBL2HTT
SCHEMBL31187810 0.70 SSTR4 (0.38)
SCHEMBL1507294 0.70 ALDH1A1 (0.35) MEN1KMT2ALMNAALDH1A1
SCHEMBL19899936 0.70 GPR17 (0.43) AGBL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157388-A Carbocyclic amide derivative and application thereof in medicine 四川海思科制药有限公司 2023-05-23 CN disclosed
CN-114437063-A Cyano derivative and application thereof in medicine 海思科医药集团股份有限公司 2022-05-06 CN disclosed
WO-2022053000-A1 CARBOCYCLIC AMIDE DERIVATIVE AND APPLICATION THEREOF IN MEDICINE 四川海思科制药有限公司 2022-03-17 WO disclosed
US-7816380-B2 1-hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives MERCK SHARP & DOHME LLC 2009-03-05 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 (1 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-20090062349-A1 1-Hydroxycycloalkanecarboxamide derivatives BDKRB1, BDKRB2, HRH4 MEN1 2514/4885KMT2A 1141/4885LMNA 2167/4885

“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.