SCHEMBL2899264

SCHEMBL2899264

O=C1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CCN1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GPR183 P32249 5/20 0.49
NPC1 O15118 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
ITGB2 P05107 3/20 0.45
ICAM1 P05362 3/20 0.45
ITGAL P20701 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2899267 1.00 RAB9A (0.52) RAB9AGAASMN1; SMN2GPR183NPC1
SCHEMBL2896888 0.91 RAB9A (0.49) RAB9AGAASMN1; SMN2GPR183NPC1
SCHEMBL2896892 0.91 RAB9A (0.49) RAB9AGAASMN1; SMN2GPR183NPC1
SCHEMBL1556407 0.90 RAB9A (0.62) RAB9AGAASMN1; SMN2GPR183NPC1
SCHEMBL1556410 0.90 RAB9A (0.62) RAB9AGAASMN1; SMN2GPR183NPC1
SCHEMBL2899470 0.90 RAB9A (0.46) RAB9AGAASMN1; SMN2GPR183NPC1
SCHEMBL2899476 0.90 RAB9A (0.46) RAB9AGAASMN1; SMN2GPR183NPC1
SCHEMBL1556455 0.85 RAB9A (0.55) RAB9AGAASMN1; SMN2GPR183NPC1
SCHEMBL1556451 0.85 RAB9A (0.55) RAB9AGAASMN1; SMN2GPR183NPC1
SCHEMBL1344179 0.79 RAB9A (0.65) RAB9AGAASMN1; SMN2GPR183NPC1

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 RAB9A 1942/4885GAA 4580/4885SMN1; SMN2 2573/4885

“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.