SCHEMBL4084228

SCHEMBL4084228

O=C(O)NC(c1cccs1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HPGD P15428 4/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
GFER P55789 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL2832539 0.87 HPGD (0.42) MAPTHPGDRAB9AALDH1A1TSHR
SCHEMBL14390346 0.76 MAPT (0.44) MAPTHPGDRAB9AALDH1A1TSHR
SCHEMBL10451935 0.74 CTSC (0.48) MAPTHPGDRAB9AALDH1A1TSHR
SCHEMBL25890786 0.74 POLB (0.39) MAPTHPGDRAB9AALDH1A1TSHR
SCHEMBL4080372 0.73 CES2 (0.46) MAPTHPGDRAB9AALDH1A1TSHR
SCHEMBL1568577 0.71 HPGD (0.44) MAPTHPGDRAB9AALDH1A1TSHR
SCHEMBL27826689 0.70 ALDH1A1 (0.52) MAPTHPGDALDH1A1TSHRMEN1
SCHEMBL10452109 0.70 CES2 (0.43) MAPTHPGDRAB9AALDH1A1TSHR
SCHEMBL9791528 0.70 MAPT (0.44) MAPTHPGDRAB9AALDH1A1TSHR
SCHEMBL4245904 0.70 SLC6A2 (0.45) ALDH1A1TSHRMEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-02-26 US disclosed
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US disclosed
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US disclosed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US disclosed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP disclosed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 WO 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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 MAPT 2741/4885HPGD 2312/4885RAB9A 697/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 MAPT 1928/4885HPGD 2118/4885RAB9A 885/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 MAPT 2465/4885HPGD 2262/4885RAB9A 704/4885

“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.