SCHEMBL4094385

SCHEMBL4094385

COc1ccc(CCN(Cc2ccc(C)o2)C(=O)O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
AOC3 Q16853 1/20 0.45
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 5/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 1/20 0.44
HTR2A P28223 1/20 0.43

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
SCHEMBL6080143 0.90 CYP1A2 (0.46) L3MBTL1CYP1A2CYP3A4CYP2D6BLM
SCHEMBL4693129 0.75 CYP1A2 (0.54) L3MBTL1CYP1A2CYP3A4CYP2D6BLM
SCHEMBL4690968 0.74 KDM4E (0.55) L3MBTL1CYP1A2CYP3A4CYP2D6BLM
SCHEMBL901495 0.73 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP3A4CYP2D6BLM
SCHEMBL20871233 0.72 CA2 (0.61) CYP1A2CYP3A4CYP2D6BLMPMP22
SCHEMBL5464541 0.71 ALDH1A1 (0.49) L3MBTL1CYP1A2CYP3A4CYP2D6BLM
SCHEMBL4093769 0.70 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL6540100 0.70 L3MBTL1 (0.59) L3MBTL1MEN1KMT2AGAA
SCHEMBL2290451 0.70 CYP3A4 (0.56) L3MBTL1CYP1A2CYP3A4CYP2D6BLM
SCHEMBL11489148 0.69 KDM4E (0.55) L3MBTL1CYP1A2CYP3A4CYP2D6BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US claimed
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL, S.A. (ES) 2006-05-04 US claimed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP claimed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 WO claimed
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 L3MBTL1 4595/4885CYP1A2 624/4885CYP3A4 425/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 L3MBTL1 4702/4885CYP1A2 318/4885CYP3A4 193/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 L3MBTL1 4397/4885CYP1A2 782/4885CYP3A4 424/4885

“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.