SCHEMBL3590237

SCHEMBL3590237

CCN(CC)C1Cc2ccc(N)cc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.44
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
RET P07949 1/20 0.33
HSP90AA1 P07900 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CYP19A1 P11511 1/20 0.32
CRBN Q96SW2 1/20 0.32
ATAD2 Q6PL18 1/20 0.31
TSHR P16473 1/20 0.31
GSK3B P49841 1/20 0.31
HTR5A P47898 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL3598578 0.89 RET (0.35) CA9MEN1MAPTKMT2AGAA
SCHEMBL3595896 0.84 CA9 (0.47) CA9MEN1MAPTKMT2AGAA
SCHEMBL3601204 0.83 MAOA (0.33) MEN1MAPTKMT2AGAAMAOA
SCHEMBL3597873 0.83 CA9 (0.40) CA9MEN1MAPTKMT2AGAA
SCHEMBL13545283 0.81 ALDH1A1 (0.37) MEN1MAPTKMT2AMAOAMAOB
SCHEMBL3588367 0.80 CA9 (0.41) CA9MEN1MAPTKMT2AGAA
SCHEMBL3602382 0.79 TRPV1 (0.45) CA9MEN1MAPTKMT2AGAA
SCHEMBL3598181 0.77 TRPV1 (0.47) CA9MEN1MAPTKMT2AGAA
SCHEMBL3589697 0.76 CA9 (0.40) CA9MEN1MAPTKMT2AGAA
SCHEMBL1709931 0.76 CA9 (0.51) CA9MEN1MAPTKMT2AGAA

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-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
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
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 CA9 1531/4885MEN1 2424/4885MAPT 4758/4885

“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.