SCHEMBL785349

SCHEMBL785349

Cc1ccc(NC(=O)NC2CC(C)(C)c3ccc(C(=O)N(C)C4CCN(c5ccncc5)CC4)cc32)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
EPHX2 P34913 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
MALT1 Q9UDY8 1/20 0.37
SLC2A1 P11166 1/20 0.36
F10 P00742 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GSPT1 P15170 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL784732 0.93 MALT1 (0.41) SMN1; SMN2CCNCCDK8MALT1SLC2A1
SCHEMBL784709 0.91 F10 (0.40) EPHX2F10ALDH1A1JAK2JAK1
SCHEMBL785639 0.90 F10 (0.40) NPC1EPHX2RAB9ATSHRSMN1; SMN2
SCHEMBL785132 0.88 F10 (0.38) F10ALDH1A1JAK2JAK1
SCHEMBL783957 0.88 TRPV1 (0.40) NPC1EPHX2RAB9AF10ALDH1A1
SCHEMBL785541 0.87 F10 (0.42) F10ALDH1A1MAPTMEN1KMT2A
SCHEMBL785715 0.87 F10 (0.41) NPC1RAB9AHTTF10FPR1
SCHEMBL784642 0.87 TRPV1 (0.46) NPC1EPHX2RAB9ATSHRHTT
SCHEMBL785527 0.86 TRPV1 (0.38) F10ALDH1A1MEN1KMT2AJAK2
SCHEMBL784541 0.86 NTRK1 (0.35) NPC1RAB9AF10ALDH1A1KMT2A

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 2033/4885EPHX2 1475/4885RAB9A 1673/4885

“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.