SCHEMBL4518786

SCHEMBL4518786

O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GPR183 P32249 8/20 0.63
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CCR2 P41597 1/20 0.46
▸ ITGB2 P05107 1/20 0.46
▸ ICAM1 P05362 1/20 0.46
▸ ITGAL P20701 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ EPHX2 P34913 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
SCHEMBL4518792 1.00 GPR183 (0.63) GPR183NPC1RAB9ATDP1MAPT
SCHEMBL14949412 0.84 GPR183 (0.55) GPR183NPC1RAB9ATDP1MAPT
SCHEMBL12701106 0.84 GPR183 (0.55) GPR183NPC1RAB9ATDP1MAPT
SCHEMBL4507116 0.83 NPC1 (0.66) GPR183NPC1RAB9ATDP1MAPT
SCHEMBL4507120 0.83 NPC1 (0.66) GPR183NPC1RAB9ATDP1MAPT
SCHEMBL2899766 0.82 GPR183 (0.51) GPR183NPC1RAB9ATDP1MAPT
SCHEMBL2897111 0.82 GPR183 (0.51) GPR183NPC1RAB9ATDP1MAPT
SCHEMBL4559427 0.81 NPC1 (0.67) GPR183NPC1RAB9ATDP1MAPT
SCHEMBL4559426 0.81 NPC1 (0.67) GPR183NPC1RAB9ATDP1MAPT
SCHEMBL16599931 0.80 GPR183 (0.73) GPR183NPC1RAB9ATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632829-B2 Diazepan derivatives HOFFMANN-LA ROCHE INC. (US) 2009-12-15 — — US 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 GPR183 86/4885NPC1 1598/4885RAB9A 1942/4885

“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.

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