SCHEMBL784110

SCHEMBL784110

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)C(C)(C)c3ccccc3Cl)CC4)CC2)cc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
EPHX2 P34913 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
WDR5 P61964 3/20 0.35
MRGPRX2 Q96LB1 3/20 0.35
CTSS P25774 1/20 0.34
CNR1 P21554 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
RBP4 P02753 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
SCHEMBL784475 0.90 F10 (0.37) F10JAK2JAK1CTSSTAS1R3
SCHEMBL784130 0.90 F10 (0.37) F10JAK2JAK1CTSSTAS1R3
SCHEMBL784614 0.87 CTSS (0.35) F10JAK2JAK1MRGPRX2CTSS
SCHEMBL785605 0.86 ALDH1A1 (0.43) F10TLR9TLR8TLR7WDR5
SCHEMBL784734 0.86 CTSS (0.41) F10CTSSTAS1R3TAS1R1
SCHEMBL784894 0.85 RORC (0.41) F10EPHX2TLR9TLR8TLR7
SCHEMBL785326 0.85 F10 (0.38) F10JAK2JAK1TLR9TLR8
SCHEMBL785814 0.85 TAS1R3 (0.44) F10JAK2JAK1EPHX2TLR9
SCHEMBL785455 0.84 F10 (0.37) F10JAK2JAK1TAS1R3TAS1R1
SCHEMBL784725 0.84 F10 (0.40) F10JAK2JAK1TLR9TLR8

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 6 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
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 F10 524/4885JAK2 1298/4885JAK1 1517/4885

“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.