SCHEMBL2904321

SCHEMBL2904321

O=C(C=Cc1ccc(F)c(Cl)c1)N1CCC(=O)N(CC(O)CN2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.45
PYGL P06737 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ITGB2 P05107 2/20 0.39
ICAM1 P05362 2/20 0.39
ITGAL P20701 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
CCR2 P41597 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL2904323 1.00 GPR183 (0.45) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2904318 1.00 GPR183 (0.45) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL1344446 0.92 GPR183 (0.43) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL1344443 0.92 GPR183 (0.43) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2904448 0.92 CCR2 (0.42) GPR183NPC1RAB9AHPGDALDH1A1
SCHEMBL2902256 0.92 GPR183 (0.52) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2904845 0.92 GPR183 (0.52) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2902254 0.92 GPR183 (0.52) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2903272 0.92 GPR183 (0.52) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2903270 0.92 GPR183 (0.52) GPR183PYGLNPC1RAB9ATDP1

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 86/4885PYGL 4706/4885NPC1 1598/4885

“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.