SCHEMBL784832

SCHEMBL784832

CC(C)CS(=O)(=O)N[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.42
CCR5 P51681 1/20 0.38
MCHR1 Q99705 1/20 0.38
ROCK2 O75116 1/20 0.36
POLB P06746 1/20 0.35
DRD2 P14416 1/20 0.34
NPY5R Q15761 1/20 0.34
F2 P00734 1/20 0.33
PLAT P00750 1/20 0.33
KLKB1 P03952 1/20 0.33
CNR2 P34972 1/20 0.33

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 0.85 CCR5 (0.39) F10CCR5MCHR1ROCK2POLB
SCHEMBL784956 0.85 CCR5 (0.39) F10CCR5MCHR1ROCK2POLB
SCHEMBL784029 0.84 F10 (0.41) F10CCR5MCHR1NPY5R
SCHEMBL785091 0.84 ACHE (0.43) F10CCR5MCHR1ROCK2POLB
SCHEMBL784382 0.84 TAF1 (0.40) F10POLBDRD2CNR2
SCHEMBL785628 0.83 F10 (0.37) F10CCR5MCHR1
SCHEMBL785319 0.83 F10 (0.39) F10MCHR1ROCK2POLBDRD2
SCHEMBL785133 0.83 F10 (0.42) F10CCR5MCHR1NPY5R
SCHEMBL786234 0.83 CCR5 (0.40) F10CCR5MCHR1ROCK2POLB
SCHEMBL27902600 0.83 F10 (0.37) F10CCR5MCHR1NPY5R

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

“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.