SCHEMBL4090560

SCHEMBL4090560

COc1ccc(-c2sccc2CNC(=O)Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
PRKCZ Q05513 1/20 0.40
MAOB P27338 1/20 0.39
CDK2 P24941 1/20 0.39
GSK3B P49841 1/20 0.39
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
NAAA Q02083 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
PTGES O14684 1/20 0.37

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
SCHEMBL4090580 0.89 PRKCZ (0.43) GRM5GRM1PRKCZMAOBCDK2
SCHEMBL6227618 0.77 NPC1 (0.48) PRKCZKMT2ARAB9AMEN1NPC1
SCHEMBL24439481 0.67 FFAR4 (0.38) KMT2ARAB9AMEN1NPC1
SCHEMBL9464193 0.65 CYP17A1 (0.61) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL14645421 0.62 KMT2A (0.54) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL23417918 0.62 ALDH1A1 (0.58) MAOBALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL24439487 0.62 FFAR4 (0.37)
SCHEMBL311361 0.62 HTT (0.71) KMT2ARAB9AMEN1ALDH1A1LMNA
SCHEMBL3225685 0.61 HTT (0.55) RAB9AALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL21561215 0.61 LMNA (0.60) RAB9AALDH1A1LMNAMAPK1HTT

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 GRM5 180/4885GRM1 123/4885PRKCZ 883/4885
US-20060094751-A1 Quinuclidine derivatives and pharmaceutical compositions containing the same CHRM3, CHRM2, CHRM1 GRM5 173/4885GRM1 166/4885PRKCZ 1148/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 GRM5 162/4885GRM1 115/4885PRKCZ 847/4885

“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.