SCHEMBL1344443

SCHEMBL1344443

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.43
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
PYGL P06737 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
MCHR1 Q99705 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL1344446 1.00 GPR183 (0.43) GPR183PRMT5WDR77PYGLNPC1
SCHEMBL2904321 0.92 GPR183 (0.45) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2904323 0.92 GPR183 (0.45) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2904318 0.92 GPR183 (0.45) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL1343320 0.92 GPR183 (0.50) GPR183PRMT5WDR77PYGLNPC1
SCHEMBL1343318 0.92 GPR183 (0.50) GPR183PRMT5WDR77PYGLNPC1
SCHEMBL1344367 0.88 PRMT5 (0.46) GPR183PRMT5WDR77
SCHEMBL1344365 0.88 PRMT5 (0.46) GPR183PRMT5WDR77
SCHEMBL2902254 0.83 GPR183 (0.52) GPR183PYGLNPC1RAB9ATDP1
SCHEMBL2902256 0.83 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 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 44/4885PRMT5 823/4885WDR77 1748/4885

“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.