SCHEMBL1344044

SCHEMBL1344044

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(CCCN2CCCC2)C(=O)C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PYGL P06737 12/20 0.47
CCR2 P41597 1/20 0.46

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
SCHEMBL1344046 1.00 GPR183 (0.53) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL1343682 0.99 GPR183 (0.52) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL1343680 0.99 GPR183 (0.52) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL1344566 0.97 GPR183 (0.52) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL1344562 0.97 GPR183 (0.52) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL1344427 0.94 NPC1 (0.55) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL1344425 0.94 NPC1 (0.55) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL2902556 0.91 GPR183 (0.54) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL2902557 0.91 GPR183 (0.54) GPR183NPC1RAB9ATDP1PYGL
SCHEMBL1344171 0.90 CCR2 (0.50) GPR183NPC1RAB9ATDP1PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO 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-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 GPR183 44/4885NPC1 1067/4885RAB9A 914/4885

“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.