SCHEMBL785230

SCHEMBL785230

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)Nc3ccc(F)c(Cl)c3)CC4)CC2)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
NPY5R Q15761 1/20 0.40
MALT1 Q9UDY8 2/20 0.40
MCHR1 Q99705 13/20 0.39
F10 P00742 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL785323 0.93 F10 (0.38) MALT1F10ALDH1A1TLR9TLR8
SCHEMBL784125 0.90 F10 (0.41) NPY5RF10TLR9TLR8TLR7
SCHEMBL785210 0.89 USP30 (0.44) NPY5RMALT1F10ALDH1A1LMNA
SCHEMBL785460 0.87 TRPV1 (0.41) NPY5RMALT1MCHR1F10ALDH1A1
SCHEMBL784619 0.86 F10 (0.43) NPY5RF10ALDH1A1TLR9TLR8
SCHEMBL785474 0.86 NPC1 (0.46) CYP2D6NPY5RF10ALDH1A1LMNA
SCHEMBL785876 0.86 F10 (0.41) NPY5RF10TLR9TLR8TLR7
SCHEMBL785958 0.85 F10 (0.38) F10TLR9TLR8TLR7
SCHEMBL785369 0.84 F10 (0.38) NPY5RF10TLR9TLR8TLR7
SCHEMBL784621 0.84 UBE2M (0.37) CYP2D6F10ALDH1A1LMNATLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 CYP2D6 900/4885NPY5R 54/4885MALT1 3526/4885

“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.