SCHEMBL734862

SCHEMBL734862

CON(C)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SETD7 Q8WTS6 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
NR1H2 P55055 1/20 0.35
DTYMK P23919 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ESR2 Q92731 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL734861 0.79 DDB1 (0.40) DDB1CRBNALDH1A1USP2SMN1; SMN2
SCHEMBL734678 0.77 DDB1 (0.44) DDB1CRBNALDH1A1USP2SMN1; SMN2
SCHEMBL1571128 0.77 USP2 (0.43) DDB1CRBNALDH1A1USP2SMN1; SMN2
SCHEMBL4874324 0.76 DDB1 (0.40) DDB1CRBNALDH1A1USP2SMN1; SMN2
SCHEMBL4872722 0.75 DDB1 (0.38) DDB1CRBNALDH1A1USP2SMN1; SMN2
SCHEMBL4875412 0.75 DDB1 (0.42) DDB1CRBNALDH1A1USP2SMN1; SMN2
SCHEMBL736072 0.74 HPGD (0.41) DDB1CRBNALDH1A1TP53KMT2A
SCHEMBL23536559 0.74 PIK3CD (0.47) DDB1CRBNALDH1A1USP2SMN1; SMN2
SCHEMBL950278 0.73 CHRM2 (0.48) ALDH1A1USP2SMN1; SMN2GPR119NR1H2
SCHEMBL2547405 0.73 GPR119 (0.47) ALDH1A1USP2SMN1; SMN2GPR119

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-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2321285-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-La Roche AG (CH) 2011-05-18 EP disclosed
WO-2010012619-A1 DIAZEPAN AND PIPERAZINE DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2010-02-04 WO disclosed
US-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-28 US 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-20100022518-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 DDB1 3208/4885CRBN 1159/4885ALDH1A1 2750/4885

“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.