SCHEMBL784616

SCHEMBL784616

Cc1cccc(C)c1C(=O)NC1CCOc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.39
F10 P00742 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
BDKRB1 P46663 1/20 0.35
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
CCR5 P51681 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 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
SCHEMBL784756 0.88 F10 (0.40) ROCK2F10NPC1RAB9AJAK2
SCHEMBL785236 0.87 F10 (0.38) ROCK2F10NPC1RAB9ABDKRB1
SCHEMBL784391 0.87 ROCK2 (0.38) ROCK2F10NPC1RAB9ABDKRB1
SCHEMBL785798 0.87 F10 (0.38) ROCK2F10NPC1RAB9ABDKRB1
SCHEMBL784009 0.87 RORC (0.40) ROCK2F10BDKRB1
SCHEMBL785219 0.86 TAS1R3 (0.43) ROCK2F10JAK2JAK1TAS1R3
SCHEMBL785183 0.86 F10 (0.39) ROCK2F10NPC1RAB9ACCR5
SCHEMBL784113 0.86 BDKRB1 (0.40) ROCK2F10BDKRB1HPGDMEN1
SCHEMBL784150 0.86 BDKRB1 (0.40) ROCK2F10BDKRB1HPGDMEN1
SCHEMBL784482 0.85 TAS1R3 (0.43) ROCK2F10JAK2JAK1TAS1R3

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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 ROCK2 3995/4885F10 524/4885NPC1 2033/4885

“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.