SCHEMBL73290

SCHEMBL73290

O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 1.00
CHRM2 P08172 7/20 1.00
CHRM1 P11229 7/20 1.00
CHRM4 P08173 1/20 0.76
CHRM5 P08912 1/20 0.76

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
SCHEMBL7612587 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL73103 1.00 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL72595 0.92 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL4412485 0.92 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL18130708 0.92 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL16692242 0.92 CHRM3 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Quinuclidinyl Benzilate SCHEMBL241173 0.87 CHRM2 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Quinuclidinyl Benzilate SCHEMBL59698 0.87 CHRM2 (1.00) CHRM3CHRM2CHRM1CHRM4CHRM5
Quinuclidinyl Benzilate SCHEMBL29433215 0.86 CHRM2 (0.97) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL72753 0.83 CHRM3 (0.78) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513279-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL, S.A. (ES) 2013-08-20 US disclosed
US-20120122826-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2012-05-17 US disclosed
US-8129405-B2 Quinuclidine derivatives and medicinal compositions containing the same ALMIRALL PRODESFARMA S.A. (ES) 2012-03-06 US disclosed
US-20110118223-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA, S.A. (ES) 2011-05-19 US 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 (2 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-20120122826-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CYP11B2, NR3C2, CYP11B1 CHRM3 9/4885CHRM2 90/4885CHRM1 168/4885
US-20110118223-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ADRB2 CHRM3 1/4885CHRM2 9/4885CHRM1 24/4885

“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.