SCHEMBL2905093

SCHEMBL2905093

O=C(/C=C/c1ccc2ccccc2c1)N1CCC(=O)N(CCCN2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 4/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL2905099 1.00 GPR183 (0.42) GPR183ALDH1A1MAPTHRH3HDAC1
SCHEMBL2902175 0.93 ALDH1A1 (0.46) GPR183ALDH1A1MAPTMEN1KMT2A
SCHEMBL2902171 0.93 ALDH1A1 (0.46) GPR183ALDH1A1MAPTMEN1KMT2A
SCHEMBL2896736 0.88 MEN1 (0.54) GPR183ALDH1A1MAPTMEN1KMT2A
SCHEMBL2896739 0.88 MEN1 (0.54) GPR183ALDH1A1MAPTMEN1KMT2A
SCHEMBL2896867 0.85 MEN1 (0.48) GPR183ALDH1A1HRH3MEN1KMT2A
SCHEMBL2896331 0.85 GPR183 (0.53) GPR183NPC1RAB9A
SCHEMBL2904480 0.85 CCR2 (0.44) GPR183ALDH1A1MAPTNPC1RAB9A
SCHEMBL2896330 0.85 GPR183 (0.53) GPR183NPC1RAB9A
SCHEMBL2896871 0.85 MEN1 (0.48) GPR183ALDH1A1HRH3MEN1KMT2A

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 GPR183 86/4885ALDH1A1 2871/4885MAPT 4074/4885

“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.