SCHEMBL784956

SCHEMBL784956

CC(C)CC(=O)NC1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.39
MCHR1 Q99705 1/20 0.39
F10 P00742 4/20 0.38
ROCK2 O75116 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TAOK3 Q9H2K8 2/20 0.35
DRD2 P14416 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
CTSS P25774 1/20 0.35
PSMB11 A5LHX3 1/20 0.34
PSMA7 O14818 1/20 0.34
PSMB1 P20618 1/20 0.34
PSMA1 P25786 1/20 0.34
PSMA2 P25787 1/20 0.34
PSMA3 P25788 1/20 0.34
PSMA4 P25789 1/20 0.34
PSMB8 P28062 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
SCHEMBL785736 1.00 CCR5 (0.39) CCR5MCHR1F10ROCK2POLB
SCHEMBL785665 0.95 TAOK3 (0.41) CCR5F10POLBKDM4ETAOK3
SCHEMBL785305 0.93 ROCK2 (0.39) CCR5MCHR1F10ROCK2KDM4E
SCHEMBL785013 0.93 ROCK2 (0.39) CCR5MCHR1F10ROCK2KDM4E
SCHEMBL784804 0.90 F10 (0.41) F10POLBJAK2JAK1DRD2
SCHEMBL785442 0.90 PRMT3 (0.36) CCR5MCHR1F10ROCK2JAK2
SCHEMBL783606 0.89 TLR9 (0.42) F10JAK2JAK1DRD2CTSS
SCHEMBL785608 0.88 MCHR1 (0.39) CCR5MCHR1F10ROCK2POLB
SCHEMBL785458 0.88 MCHR1 (0.39) CCR5MCHR1F10ROCK2POLB
SCHEMBL786234 0.88 CCR5 (0.40) CCR5MCHR1F10ROCK2POLB

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 5 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
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 CCR5 460/4885MCHR1 363/4885F10 524/4885

“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.