SCHEMBL784993

SCHEMBL784993

CCN(C(=O)c1cccnc1C(F)(F)F)[C@@H]1CCc2ccc(C(=O)NCC3CCN(c4cc(C)nc(C)n4)CC3)cc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
RBP4 P02753 1/20 0.36
CKS1B P61024 2/20 0.35
SKP1 P63208 2/20 0.35
SKP2 Q13309 2/20 0.35
ACACB O00763 3/20 0.35
ACACA Q13085 3/20 0.35
HDAC4 P56524 1/20 0.34
CETP P11597 4/20 0.34
CXCR4 P61073 1/20 0.33
MAPK14 Q16539 2/20 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
SCHEMBL784143 0.92 F10 (0.37) F10HCRTR1HCRTR2RBP4CKS1B
SCHEMBL784868 0.90 F10 (0.36) F10HCRTR1HCRTR2RBP4CKS1B
SCHEMBL784994 0.88 TAF1 (0.38) HCRTR1HCRTR2RBP4CXCR4
SCHEMBL791229 0.85 F10 (0.38) F10CKS1BSKP1SKP2ACACB
SCHEMBL790422 0.83 F10 (0.40) F10CKS1BSKP1SKP2ACACB
SCHEMBL784144 0.80 TAF1 (0.40) HCRTR1HCRTR2RBP4CXCR4
SCHEMBL784998 0.78 HCRTR1 (0.39) HCRTR1HCRTR2RBP4
SCHEMBL784596 0.78 HCRTR1 (0.39) HCRTR1HCRTR2RBP4
SCHEMBL784869 0.77 TAF1 (0.37) HCRTR1HCRTR2RBP4CXCR4
SCHEMBL803552 0.77 HCRTR1 (0.38) HCRTR1HCRTR2CXCR4

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 4 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-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 524/4885HCRTR1 214/4885HCRTR2 500/4885

“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.