SCHEMBL1587699

SCHEMBL1587699

O=C(C=Cc1ccc(Cl)c(Cl)c1)N1CCC(=O)N(CCC(=O)N2CCC(CO)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.52
GPR183 P32249 5/20 0.52
SLC2A1 P11166 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 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
SCHEMBL1587696 1.00 CCR2 (0.52) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL1587375 0.91 GPR183 (0.53) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL1587372 0.91 GPR183 (0.53) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL1587220 0.90 GPR183 (0.52) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL1587223 0.90 GPR183 (0.52) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL1587711 0.90 GPR183 (0.46) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2896347 0.89 CCR2 (0.58) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL2896343 0.89 CCR2 (0.58) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL1588092 0.89 GPR183 (0.51) CCR2GPR183SLC2A1NPC1RAB9A
SCHEMBL1588095 0.89 GPR183 (0.51) CCR2GPR183SLC2A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 EP disclosed
US-8445674-B2 Heterocyclyl compounds Hoffmann-La Roche Inc (US) 2013-05-21 US disclosed
US-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2011-04-21 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-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR1 CCR2 1/4885GPR183 95/4885SLC2A1 4116/4885

“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.