SCHEMBL4242680

SCHEMBL4242680

O=C(OCC1C2CCC1CNC2)N(Cc1cccc(C(F)(F)F)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.46
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
DCUN1D1 Q96GG9 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CETP P11597 1/20 0.41
PDK1 Q15118 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGIR P43119 1/20 0.39
CHRM2 P08172 5/20 0.39
CHRM1 P11229 5/20 0.39
CHRM3 P20309 5/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
HTR2A P28223 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
SCHEMBL4244214 0.76 KCNH2 (0.45) CHRM2CHRM1CHRM3
SCHEMBL4237658 0.76 CHRM2 (0.46) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL4249813 0.73 ACHE (0.47) DCUN1D1MEN1KMT2APTGIRCHRM2
SCHEMBL4248347 0.71 CHRM2 (0.52) CHRM2CHRM1CHRM3HTT
SCHEMBL2312873 0.71 DCUN1D1 (0.56) SLC6A2SLC6A4DCUN1D1MEN1KMT2A
SCHEMBL4237321 0.70 SIGMAR1 (0.44) PTGIRCHRM2CHRM1CHRM3
SCHEMBL4240894 0.70 CHRM2 (0.47) PTGIRCHRM2CHRM1CHRM3
SCHEMBL4250571 0.69 CHRM2 (0.52) MEN1KMT2APTGIRCHRM2CHRM1
SCHEMBL4237271 0.69 CHRM2 (0.46) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL4191418 0.68 CHRM3 (0.51) SLC6A4MEN1KMT2ACHRM2CHRM1

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-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US claimed
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 SERPINE1 2597/4885SLC6A2 1215/4885SLC6A4 1793/4885

“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.