SCHEMBL2795602

SCHEMBL2795602

Cc1nccn1CCCOC(=O)C(O)(c1cccs1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM3 P20309 9/20 0.38
CHRM2 P08172 8/20 0.37
CHRM1 P11229 6/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CHRM4 P08173 4/20 0.36
CHRM5 P08912 3/20 0.36
ADRA1A P35348 3/20 0.36
HRH1 P35367 3/20 0.36
OPRK1 P41145 3/20 0.36
KCNH2 Q12809 3/20 0.36
ADRA2A P08913 2/20 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
SCHEMBL2793979 0.93 ALDH1A1 (0.39) ALDH1A1KDM4EHTTSMN1; SMN2POLB
SCHEMBL2793297 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EHTTSMN1; SMN2POLB
SCHEMBL2797791 0.86 ALDH1A1 (0.47) ALDH1A1KDM4EHTTSMN1; SMN2POLB
SCHEMBL4556790 0.80 CHRM3 (0.37) ALDH1A1CHRM3CHRM2CHRM1CHRM4
Bromide SCHEMBL2793609 0.79 CHRM3 (0.37) ALDH1A1CHRM3CHRM2CHRM1CHRM4
SCHEMBL2791018 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EHTTSMN1; SMN2POLB
SCHEMBL2792777 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EHTTSMN1; SMN2POLB
Bromide SCHEMBL2795792 0.77 CHRM3 (0.36) ALDH1A1KMT2ACHRM3CHRM2CHRM1
Bromide SCHEMBL2795514 0.76 CA1 (0.42) ALDH1A1KMT2ACHRM3CHRM2CHRM1
Bromide SCHEMBL2792251 0.74 CHRM3 (0.43) KMT2ACHRM3CHRM2CHRM1CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168197-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-07-01 US claimed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US claimed
EP-2129663-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-12-09 EP claimed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP claimed
WO-2008104942-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-09-04 WO claimed
US-20100168197-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-07-01 US disclosed
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-01-07 US disclosed
EP-2129663-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-12-09 EP disclosed
EP-2111861-A1 Compositions of phosphodiesterase type IV inhibitors Ranbaxy Laboratories Limited (IN) 2009-10-28 EP disclosed
WO-2008104942-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-09-04 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 (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-20100168197-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 ALDH1A1 1927/4885KDM4E 3920/4885HTT 3592/4885
US-20100004215-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS PDE4B, PDE4A, PDE3B ALDH1A1 2460/4885KDM4E 1748/4885HTT 4847/4885

“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.