SCHEMBL784667

SCHEMBL784667

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)S(=O)(=O)Cc3cccc(C(F)(F)F)c3)CC4)CC2)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
TSHR P16473 1/20 0.40
F10 P00742 1/20 0.37
RORC P51449 1/20 0.37
GALR3 O60755 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SCN9A Q15858 2/20 0.35
SLC6A9 P48067 1/20 0.35
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GPR52 Q9Y2T5 2/20 0.34
HTR6 P50406 1/20 0.34
GPR142 Q7Z601 1/20 0.34
POLB P06746 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
SCHEMBL784459 0.86 GALR3 (0.41) KMT2ATSHRF10RORCGALR3
SCHEMBL785403 0.86 EPHX2 (0.42) F10RORCTLR9TLR8TLR7
SCHEMBL784895 0.82 F10 (0.43) F10TLR9TLR8TLR7POLB
SCHEMBL27920394 0.81 EPHX2 (0.36) F10TLR9TLR8TLR7
SCHEMBL27902598 0.81 TLR9 (0.38) KMT2ATSHRF10TLR9TLR8
SCHEMBL784791 0.80 PDK2 (0.41) F10TLR9TLR8TLR7
SCHEMBL784970 0.80 F10 (0.39) F10RORCTLR9TLR8TLR7
SCHEMBL28802471 0.79 F10 (0.41) F10TLR9TLR8TLR7POLB
SCHEMBL785172 0.78 F10 (0.41) F10TLR9TLR8TLR7
SCHEMBL784539 0.78 TLR9 (0.43) F10TLR9TLR8TLR7POLB

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 KMT2A 2222/4885TSHR 586/4885F10 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.