SCHEMBL1343318

SCHEMBL1343318

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCN(CC(O)CN2CCCCC2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CCR2 P41597 6/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
PYGL P06737 1/20 0.40
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL1343320 1.00 GPR183 (0.50) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL1344446 0.92 GPR183 (0.43) GPR183NPC1RAB9ATDP1PRMT5
SCHEMBL1344443 0.92 GPR183 (0.43) GPR183NPC1RAB9ATDP1PRMT5
SCHEMBL2904845 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903272 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2903270 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902256 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2902254 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL2896228 0.91 GPR183 (0.52) GPR183NPC1RAB9ATDP1CCR2
SCHEMBL1344367 0.89 PRMT5 (0.46) GPR183PRMT5WDR77ALDH1A1

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.