SCHEMBL3589856

SCHEMBL3589856

CC(C)(C)[Si](C)(C)OCCN1C(=O)CCc2c(N)cccc21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
ALDH1A1 P00352 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ATAD2 Q6PL18 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL3594144 0.82 DRD2 (0.37) DUTLOXL2ALDH1A1SIGMAR1
SCHEMBL495351 0.77 ATAD2 (0.48) DUTATAD2
SCHEMBL3602292 0.74 LOXL2 (0.46) LOXL2SIGMAR1CHRM1
SCHEMBL6395124 0.74 CHRM2 (0.53) CHRM1
SCHEMBL3589858 0.73
SCHEMBL13606955 0.72 CHRM1 (0.41) CHRM1
SCHEMBL1346075 0.71 DUT (0.38) DUTALDH1A1
SCHEMBL7800083 0.71 HRH3 (0.41) SIGMAR1
SCHEMBL3600672 0.69 TRPV1 (0.42)
SCHEMBL3592107 0.69 REN (0.46) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 DUT 4353/4885LOXL2 771/4885ALDH1A1 1904/4885

“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.