SCHEMBL8106724

SCHEMBL8106724

CC(C)CCCCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
PAOX Q6QHF9 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
MAPK1 P28482 1/20 0.41
SCN1A P35498 1/20 0.41
HTR2B P41595 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN2A Q99250 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
SCHEMBL8250393 1.00 SMN1; SMN2 (0.50) SMN1; SMN2KEAP1ALDH1A1MEN1NPC1
SCHEMBL28674027 1.00 SMN1; SMN2 (0.50) SMN1; SMN2KEAP1ALDH1A1MEN1NPC1
SCHEMBL441441 0.98 KEAP1 (0.52) SMN1; SMN2KEAP1ALDH1A1MEN1NPC1
SCHEMBL105227 0.92 KEAP1 (0.54) SMN1; SMN2KEAP1ALDH1A1MEN1KMT2A
SCHEMBL9015008 0.86 PAOX (0.60) SMN1; SMN2KEAP1ALDH1A1HPGDDUSP3
SCHEMBL1810789 0.85 HRH3 (0.46) SMN1; SMN2PAOXHRH3
SCHEMBL23179801 0.85 KEAP1 (0.47) SMN1; SMN2KEAP1ALDH1A1MEN1KMT2A
SCHEMBL27979713 0.85 SMN1; SMN2 (0.47) SMN1; SMN2KEAP1ALDH1A1MEN1NPC1
SCHEMBL12014361 0.85 SMN1; SMN2 (0.47) SMN1; SMN2KEAP1ALDH1A1MEN1NPC1
SCHEMBL8648555 0.83 KDM4E (0.47) SMN1; SMN2KEAP1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-7786122-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-31 US disclosed
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-04-10 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
EP-0632031-B1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 2000-05-03 EP disclosed
US-5496853-A FOR TREATING HYPERCHOLESTEROLEMIA TEIJIN LIMITED (JP) 1996-03-05 US disclosed
EP-0632031-A1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1995-01-04 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 (2 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-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B SMN1; SMN2 781/4885KEAP1 4414/4885ALDH1A1 2805/4885
US-20080085894-A1 ALPHA-(N-SULFONAMIDO)ACETAMIDE DERIVATIVES AS BETA-AMYLOID INHIBITORS APP, APBA1, BACE1 SMN1; SMN2 675/4885KEAP1 2951/4885ALDH1A1 1197/4885

“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.