SCHEMBL4388441

SCHEMBL4388441

CC(C)(C)[Si](C)(C)OC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1=CCN1CCNC(=O)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.32
CHRM2 P08172 3/20 0.31
CHRM3 P20309 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4388438 1.00 TRPV4 (0.32) TRPV4CHRM2CHRM3L3MBTL1SMN1; SMN2
SCHEMBL4388433 1.00 TRPV4 (0.32) TRPV4CHRM2CHRM3L3MBTL1SMN1; SMN2
SCHEMBL4394332 0.84 CHRM2 (0.34) CHRM2CHRM3
SCHEMBL4394336 0.84 CHRM2 (0.34) CHRM2CHRM3
SCHEMBL4394334 0.84 CHRM2 (0.34) CHRM2CHRM3
SCHEMBL4391754 0.83 MEN1 (0.38) SMN1; SMN2
SCHEMBL4391757 0.83 MEN1 (0.38) SMN1; SMN2
SCHEMBL4391761 0.83 MEN1 (0.38) SMN1; SMN2
SCHEMBL4385191 0.83 CHRM3 (0.33) CHRM3
SCHEMBL4385194 0.83 CHRM3 (0.33) CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090306059-A1 CYCLIC AMINE DERIVATIVE HAVING SUBSTITUTED ALKYL GROUP CBR3, CNR1, C3AR1 TRPV4 4090/4885CHRM2 13/4885CHRM3 14/4885

“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.