SCHEMBL2903391

SCHEMBL2903391

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(=O)N(CCN2CCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
GPR183 P32249 7/20 0.56
CCR2 P41597 4/20 0.52
PYGL P06737 7/20 0.48

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
SCHEMBL2903396 1.00 NPC1 (0.57) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL2897319 0.99 NPC1 (0.56) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL2897317 0.99 NPC1 (0.56) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL2902557 0.94 GPR183 (0.54) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL2902556 0.94 GPR183 (0.54) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL2903317 0.93 GPR183 (0.53) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL2896330 0.93 GPR183 (0.53) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL2896331 0.93 GPR183 (0.53) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL2903322 0.93 GPR183 (0.53) NPC1RAB9ATDP1GPR183CCR2
SCHEMBL2903226 0.92 GPR183 (0.53) NPC1RAB9ATDP1GPR183CCR2

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 10 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 claimed
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 US claimed
EP-2010506-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. Hoffmann-Roche AG (CH) 2009-01-07 EP claimed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 WO claimed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 US claimed
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 NPC1 1598/4885RAB9A 1942/4885TDP1 3846/4885

“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.