SCHEMBL4444726

SCHEMBL4444726

CC(C)(C)C(=O)N1CC[CH]CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RIPK1 Q13546 3/20 0.41
HDAC6 Q9UBN7 3/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5803020 0.86 RIPK1 (0.39) MEN1KMT2ARIPK1HDAC6ALDH1A1
SCHEMBL1395075 0.84 FASN (0.45) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1394985 0.82 DPP4 (0.37) MEN1KMT2ASMN1; SMN2
SCHEMBL673083 0.82
SCHEMBL10722471 0.82 MEN1 (0.52) MEN1KMT2ARIPK1HDAC6ALDH1A1
SCHEMBL18823854 0.79 RIPK1 (0.44) MEN1KMT2ARIPK1HDAC6ALDH1A1
SCHEMBL803076 0.77 RIPK1 (0.48) MEN1KMT2ARIPK1HDAC6ALDH1A1
SCHEMBL803077 0.77 RIPK1 (0.48) MEN1KMT2ARIPK1HDAC6ALDH1A1
SCHEMBL1278003 0.76 ESR1 (0.39) RIPK1MAPK1
SCHEMBL14026991 0.76 DPP7 (0.44) MEN1KMT2ARIPK1HDAC6ALDH1A1

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-11911372-B2 Compounds CTXT PTY LTD (AU) 2024-02-27 US disclosed
US-20210213004-A1 Compounds CTXT PTY LTD (AU) 2021-07-15 US disclosed
EP-3813813-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-05-05 EP disclosed
US-9069275-B2 Carrier resins with improved relative humidity sensitivity XEROX CORPORATION (US) 2015-06-30 US disclosed
US-20140302435-A1 CARRIER RESINS WITH IMPROVED RELATIVE HUMIDITY SENSITIVITY National Research Council of Canada ("NRC") (CA) 2014-10-09 US disclosed
EP-1397137-B1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2009-10-14 EP disclosed
US-7125877-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-10-24 US disclosed
US-6969712-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-29 US disclosed
EP-1505063-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-02-09 EP disclosed
EP-1397137-A4 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP disclosed
EP-1397137-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-17 EP disclosed
US-20040044056-A1 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
US-20030236267-A1 Benzimidazole derivatives MSD K.K. (JP) 2003-12-25 US disclosed
EP-1342717-A1 BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-09-10 EP disclosed
CN-1420881-A Beta-amino acid derivs. as inhibitors of matrix metalloproteases and TNF-alpha BRISTOL MYERS SQUIBB PHARMACEU (US) 2003-05-28 CN disclosed
WO-2002096426-A1 HYDANTION DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
CN-1272841-A Novel lactam metalloprotease inhibitors DU PONT PHARM CO (US) 2000-11-08 CN 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 (4 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-20030236267-A1 Benzimidazole derivatives OPRL1, GPR119, NPBWR1 MEN1 1634/4885KMT2A 3564/4885RIPK1 4494/4885
US-20040044056-A1 Benzimidazole derivatives GPR119, OPRL1, INSR MEN1 697/4885KMT2A 2563/4885RIPK1 4095/4885
US-20210213004-A1 Compounds SLC10A1, ABCB11, REN MEN1 114/4885KMT2A 4080/4885RIPK1 4689/4885
US-11911372-B2 Compounds SLC10A1, ABCB11, REN MEN1 114/4885KMT2A 4080/4885RIPK1 4689/4885

“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.