SCHEMBL3730540

SCHEMBL3730540

CC(=O)OC/C=C1/CN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CCC1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.34
CHRM2 P08172 3/20 0.34
STAT3 P40763 5/20 0.34
SLC18A3 Q16572 1/20 0.32
LMNA P02545 1/20 0.32
CYP2J2 P51589 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3730538 1.00 CHRM3 (0.34) CHRM3CHRM2STAT3SLC18A3LMNA
SCHEMBL3730542 1.00 CHRM3 (0.34) CHRM3CHRM2STAT3SLC18A3LMNA
SCHEMBL4393035 0.88 LMNA (0.30) CHRM3CHRM2LMNA
SCHEMBL4393043 0.88 LMNA (0.30) CHRM3CHRM2LMNA
SCHEMBL4393040 0.88 LMNA (0.30) CHRM3CHRM2LMNA
SCHEMBL3733534 0.86 CHRM3 (0.31) CHRM3CHRM2STAT3LMNA
SCHEMBL3733532 0.86 CHRM3 (0.31) CHRM3CHRM2STAT3LMNA
SCHEMBL3741223 0.86 CHRM3 (0.31) CHRM3CHRM2STAT3LMNA
SCHEMBL4389843 0.85 POLB (0.35) LMNAMEN1KMT2A
SCHEMBL3741604 0.82 ELANE (0.35) CHRM3CHRM2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-12-10 US disclosed
EP-1889835-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP Daiichi Sankyo Company, Limited (JP) 2008-02-20 EP disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 EP 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 CHRM3 371/4885CHRM2 171/4885STAT3 2374/4885
US-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 CHRM3 14/4885CHRM2 13/4885STAT3 4318/4885

“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.