SCHEMBL785013

SCHEMBL785013

CC(C)CC(=O)N[C@@H]1CCc2cc(C(=O)N(C)C3CCN(c4ccncc4)CC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
CCR5 P51681 1/20 0.39
F10 P00742 3/20 0.38
MCHR1 Q99705 1/20 0.37
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
KDM4E B2RXH2 1/20 0.36
PSMB11 A5LHX3 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
PSMA5 P28066 1/20 0.35
PSMB4 P28070 1/20 0.35
PSMB6 P28072 1/20 0.35
PSMB5 P28074 1/20 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
SCHEMBL785305 1.00 ROCK2 (0.39) ROCK2CCR5F10MCHR1HCRTR1
SCHEMBL784956 0.93 CCR5 (0.39) ROCK2CCR5F10MCHR1KDM4E
SCHEMBL785736 0.93 CCR5 (0.39) ROCK2CCR5F10MCHR1KDM4E
SCHEMBL785665 0.88 TAOK3 (0.41) CCR5F10KDM4EPSMB11PSMA7
SCHEMBL784558 0.86 ALDH1A1 (0.38) ROCK2CCR5F10MCHR1PSMB11
SCHEMBL785435 0.84 F10 (0.39) ROCK2CCR5F10KDM4EMAPT
SCHEMBL784149 0.84 ROCK2 (0.38) ROCK2CCR5F10MCHR1MAPT
SCHEMBL784857 0.84 CA12 (0.46) ROCK2CCR5F10MCHR1KDM4E
SCHEMBL784804 0.84 F10 (0.41) F10HCRTR1HCRTR2JAK2JAK1
SCHEMBL784256 0.83 CCR5 (0.38) ROCK2CCR5F10MCHR1KDM4E

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 8 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 ROCK2 3995/4885CCR5 460/4885F10 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.