SCHEMBL4084231

SCHEMBL4084231

O=C(O)NCc1sccc1C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
HPGD P15428 3/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CAMKK1 Q8N5S9 2/20 0.34
CAMKK2 Q96RR4 2/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
METAP2 P50579 1/20 0.34
NEK2 P51955 1/20 0.34
EPHX1 P07099 1/20 0.33

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
SCHEMBL2832540 0.87 LMNA (0.38) LMNAHPGDPTGDR2KMT2AMEN1
SCHEMBL2830912 0.72 KEAP1 (0.40) LMNANEK2
SCHEMBL19259924 0.70 CYP1A2 (0.37) HPGDALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL19259801 0.70 CD38 (0.41) KMT2AMEN1ALDH1A1POLBNPC1
SCHEMBL27771263 0.69 ABCC1 (0.42) LMNAPTGDR2KMT2ACAMKK1CAMKK2
SCHEMBL8167370 0.68 LMNA (0.42) LMNAPTGDR2KMT2AMEN1CAMKK1
SCHEMBL27792331 0.67 GPR35 (0.41) LMNAHPGDCAMKK1CAMKK2ALDH1A1
SCHEMBL10369652 0.67 LMNA (0.30) LMNA
Ammonia Solution, Strong SCHEMBL27837724 0.66
SCHEMBL28854812 0.65 MAPK10 (0.43) LMNAPTGDR2KMT2AMEN1CAMKK1

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 LMNA 4384/4885HPGD 2312/4885PTGDR2 1173/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 LMNA 4134/4885HPGD 2118/4885PTGDR2 1100/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 LMNA 4450/4885HPGD 2262/4885PTGDR2 1098/4885

“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.