SCHEMBL4079955

SCHEMBL4079955

Cc1ccc(CN(Cc2cc(C)c(C)o2)C(=O)Cl)o1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL4094591 0.87 ALOX5 (0.48) ALOX5TP53PKMMAPTALDH1A1
SCHEMBL6080143 0.69 CYP1A2 (0.46) MAPTALDH1A1POLBMAPK1KMT2A
SCHEMBL28753850 0.67 CHRM2 (0.54) TP53MAPTPOLBMAPK1LMNA
SCHEMBL17801568 0.65 ALOX5 (0.56) ALOX5TP53PKMMAPTALDH1A1
SCHEMBL8809759 0.64 ALOX5 (1.00) ALOX5PKMPOLBTHRB
SCHEMBL6218112 0.63 PKM (0.51) ALOX5PKMMAPTALDH1A1POLB
SCHEMBL6323573 0.63 ALOX5 (0.54) ALOX5TP53MAPTALDH1A1POLB
SCHEMBL13453301 0.63 POLB (0.59) ALOX5PKMMAPTALDH1A1POLB
SCHEMBL82414 0.63 POLB (0.59) ALOX5MAPTPOLBKMT2A
SCHEMBL7958414 0.62 PTGER4 (0.47) ALDH1A1POLB

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 ALOX5 4013/4885TP53 2107/4885PKM 3047/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 ALOX5 4069/4885TP53 1440/4885PKM 2589/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 ALOX5 3993/4885TP53 2111/4885PKM 3207/4885

“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.