SCHEMBL2897131

SCHEMBL2897131

CC(C)(C)OC(=O)N1CCC(=O)N(C2CCN(Cc3ccccc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.53
ACHE P22303 1/20 0.47
THRB P10828 1/20 0.47
MAPT P10636 1/20 0.47
GPR119 Q8TDV5 2/20 0.46
STS P08842 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
CHRM4 P08173 1/20 0.44

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
SCHEMBL14334908 0.87 SMN1; SMN2 (0.52) TP53GPR119STSKDM4EKMT2A
SCHEMBL3570582 0.85 ACHE (0.61) TP53ACHETHRBMAPTGPR119
SCHEMBL21150819 0.82 TP53 (0.67) TP53THRBMAPTGPR119STS
SCHEMBL2862442 0.82 ALDH1A1 (0.60) TP53THRBMAPTKDM4EALDH1A1
SCHEMBL13443092 0.81 ACHE (0.54) TP53ACHETHRBMAPTGPR119
SCHEMBL3779080 0.80 CHRM4 (0.56) TP53ACHETHRBMAPTGPR119
SCHEMBL327042 0.80 TP53 (0.50) TP53ACHEGPR119STSKDM4E
SCHEMBL19188152 0.79 EPHX1 (0.47) TP53THRBMAPTGPR119KDM4E
Hydrochloric Acid SCHEMBL3966170 0.79 CHRM4 (0.55) TP53ACHETHRBMAPTGPR119
SCHEMBL23270010 0.79 TP53 (0.53) TP53ACHETHRBMAPTGPR119

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
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US disclosed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 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-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 TP53 4853/4885ACHE 2686/4885THRB 1804/4885

“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.