SCHEMBL4093769

SCHEMBL4093769

COc1ccc(CCNCc2ccc(C)o2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
GLA P06280 1/20 0.58
POLB P06746 3/20 0.57
ATM Q13315 1/20 0.57
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALOX15 P16050 1/20 0.53
SMPD1 P17405 1/20 0.52
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
CHRM2 P08172 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 1/20 0.49
PLK1 P53350 1/20 0.48

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
SCHEMBL7435099 0.79 ATM (0.76) SMN1; SMN2KDM4EALDH1A1GLAPOLB
SCHEMBL9668420 0.79 ALDH1A1 (0.74) SMN1; SMN2KDM4EALDH1A1GLAPOLB
SCHEMBL20871233 0.78 CA2 (0.61) SMN1; SMN2KDM4EALDH1A1GLAPOLB
Hydrochloric Acid SCHEMBL11808765 0.77 ATM (0.73) SMN1; SMN2KDM4EALDH1A1GLAPOLB
SCHEMBL1966824 0.76 KDM4E (0.74) SMN1; SMN2KDM4EALDH1A1GLAPOLB
SCHEMBL4103249 0.76 KDM4E (0.74) SMN1; SMN2KDM4EALDH1A1GLAPOLB
SCHEMBL6142706 0.75 CHRM2 (0.60) SMN1; SMN2ATMKMT2AMEN1CHRM2
SCHEMBL1966411 0.75 ATM (0.69) SMN1; SMN2KDM4EALDH1A1GLAPOLB
SCHEMBL8748288 0.74 MAPT (0.55) KDM4EALDH1A1GLAPOLBKMT2A
SCHEMBL7279400 0.74 ALDH1A1 (0.72) SMN1; SMN2KDM4EALDH1A1GLAKMT2A

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 SMN1; SMN2 4052/4885KDM4E 1558/4885ALDH1A1 1723/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 SMN1; SMN2 3815/4885KDM4E 1774/4885ALDH1A1 1793/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 SMN1; SMN2 4219/4885KDM4E 1285/4885ALDH1A1 2119/4885

“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.