SCHEMBL1344403

SCHEMBL1344403

CC(C)(C)OC(=O)N1CCN(CCN2CCCC2)C(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H2 P55055 2/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR2 Q92731 1/20 0.38
MCHR1 Q99705 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
PIK3CD O00329 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL1343264 0.92 HRH3 (0.42) USP2SMN1; SMN2NR1H2HPGDHRH3
SCHEMBL20523410 0.90 SMN1; SMN2 (0.52) USP2SMN1; SMN2NR1H2ESR2CHRM2
SCHEMBL1571128 0.88 USP2 (0.43) USP2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL25045393 0.86 CCR5 (0.38) USP2SMN1; SMN2NR1H2ESR2MCHR1
SCHEMBL4005175 0.85 NR1H2 (0.41) USP2SMN1; SMN2NR1H2MEN1KMT2A
SCHEMBL1583253 0.85 P2RX7 (0.46) USP2SMN1; SMN2NR1H2MEN1KMT2A
SCHEMBL2932224 0.84 SMN1; SMN2 (0.49) USP2SMN1; SMN2KMT2ACHRM2CHRM1
SCHEMBL1176507 0.83 NR1H2 (0.40) USP2SMN1; SMN2NR1H2MEN1KMT2A
SCHEMBL4390630 0.83 NR1H2 (0.41) USP2SMN1; SMN2NR1H2MEN1KMT2A
SCHEMBL24744821 0.83 NR1H2 (0.40) USP2SMN1; SMN2NR1H2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 WO disclosed
EP-2307387-B1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8071586-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2307387-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
WO-2010006938-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 US disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO 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-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 USP2 4800/4885SMN1; SMN2 4301/4885NR1H2 135/4885
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 USP2 4729/4885SMN1; SMN2 4376/4885NR1H2 222/4885

“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.