SCHEMBL784804

SCHEMBL784804

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)CC(C)C)CC4)CC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.41
F2 P00734 1/20 0.40
PLAT P00750 1/20 0.40
KLKB1 P03952 1/20 0.40
WDR5 P61964 1/20 0.39
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
POLB P06746 1/20 0.36
MRGPRX2 Q96LB1 3/20 0.35
CTSS P25774 1/20 0.35
MAPK1 P28482 1/20 0.34
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
LDHA P00338 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
DRD2 P14416 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
SCHEMBL784892 0.94 F10 (0.40) F10F2PLATKLKB1WDR5
SCHEMBL783606 0.91 TLR9 (0.42) F10WDR5TLR9TLR8TLR7
SCHEMBL784956 0.90 CCR5 (0.39) F10TLR9TLR8TLR7POLB
SCHEMBL785736 0.90 CCR5 (0.39) F10TLR9TLR8TLR7POLB
SCHEMBL28802472 0.88 F10 (0.42) F10F2PLATKLKB1WDR5
SCHEMBL784808 0.87 F10 (0.41) F10F2PLATKLKB1WDR5
SCHEMBL784620 0.85 WDR5 (0.42) F10F2PLATKLKB1WDR5
SCHEMBL785665 0.85 TAOK3 (0.41) F10POLBCTSSDRD2
SCHEMBL785442 0.85 PRMT3 (0.36) F10WDR5TLR9TLR8TLR7
SCHEMBL785422 0.85 F10 (0.40) F10F2PLATKLKB1WDR5

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 10 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
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
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
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 524/4885F2 455/4885PLAT 1347/4885

“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.