SCHEMBL4636677

SCHEMBL4636677

COC(=O)C(C)(c1cccs1)c1cccs1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 8/20 0.48
CHRM2 P08172 5/20 0.40
CHRM1 P11229 4/20 0.40
TSHR P16473 2/20 0.40
KCNN4 O15554 1/20 0.40
APLNR P35414 1/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
RAF1 P04049 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL25907833 0.87 CHRM3 (0.40) CHRM3CHRM2CHRM1TSHRAPLNR
SCHEMBL2654268 0.85 ALDH1A1 (0.41) CHRM3CHRM2CHRM1TSHRKCNN4
SCHEMBL7374418 0.85 NPSR1 (0.41) CHRM3CHRM2CHRM1TSHRKCNN4
SCHEMBL11468485 0.84 RAB9A (0.41) CHRM3CHRM2CHRM1TSHRKCNN4
SCHEMBL826276 0.81 CHRM3 (0.49) CHRM3CHRM2CHRM1KCNN4RAB9A
SCHEMBL7371709 0.81 KCNN4 (0.41) CHRM3CHRM2CHRM1TSHRKCNN4
SCHEMBL28025273 0.80 CHRM3 (0.51) CHRM3CHRM2CHRM1TSHRKCNN4
SCHEMBL11307991 0.80 MAPK1 (0.37) CHRM3CHRM2CHRM1TSHRKCNN4
SCHEMBL73588 0.79 DAO (0.43) CHRM3CHRM2CHRM1TSHRRAB9A
SCHEMBL73587 0.79 CHRM3 (0.42) CHRM3TSHRRAB9APOLBGAA

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-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US disclosed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP disclosed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 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 (1 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-20080214600-A1 Quaternized Quinuclidine Esters NQO2, QPCT, QARS1 CHRM3 222/4885CHRM2 344/4885CHRM1 327/4885

“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.