SCHEMBL785474

SCHEMBL785474

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)Nc3ccc(Cl)cc3Cl)CC4)CC2)cc(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
USP30 Q70CQ3 1/20 0.44
F10 P00742 4/20 0.43
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
F2 P00734 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY5R Q15761 3/20 0.34

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
SCHEMBL784619 0.94 F10 (0.43) NPC1RAB9AUSP30F10TLR9
SCHEMBL785958 0.92 F10 (0.38) NPC1RAB9AF10TLR9TLR8
SCHEMBL785449 0.91 F10 (0.41) NPC1RAB9AUSP30F10TLR9
SCHEMBL785694 0.90 F10 (0.41) RAB9AF10ALDH1A1MAPTNPSR1
SCHEMBL785369 0.89 F10 (0.38) F10TLR9TLR8TLR7NPY5R
SCHEMBL784125 0.88 F10 (0.41) RAB9AUSP30F10TLR9TLR8
SCHEMBL785210 0.88 USP30 (0.44) RAB9AUSP30F10TLR9TLR8
SCHEMBL785819 0.88 TLR9 (0.37) NPC1RAB9AF10TLR9TLR8
SCHEMBL785876 0.88 F10 (0.41) F10TLR9TLR8TLR7F2
SCHEMBL785702 0.87 F10 (0.42) NPC1RAB9AUSP30F10TLR9

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 4 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
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 NPC1 2033/4885RAB9A 1673/4885USP30 4164/4885

“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.