SCHEMBL784143

SCHEMBL784143

Cc1cc(N2CCC(CNC(=O)c3ccc4c(c3)[C@H](N(C)C(=O)c3cccnc3C(F)(F)F)CC4)CC2)nc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.37
RBP4 P02753 1/20 0.36
ACACB O00763 5/20 0.36
ACACA Q13085 5/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
TAF1 P21675 1/20 0.35
CECR2 Q9BXF3 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
HDAC4 P56524 1/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
CETP P11597 3/20 0.34
MCHR1 Q99705 1/20 0.34
ACKR3 P25106 1/20 0.34
SPR P35270 1/20 0.34

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
SCHEMBL784993 0.92 F10 (0.36) F10RBP4ACACBACACAHCRTR1
SCHEMBL784868 0.92 F10 (0.36) F10RBP4ACACBACACAHCRTR1
SCHEMBL784144 0.88 TAF1 (0.40) RBP4HCRTR1HCRTR2TAF1CECR2
SCHEMBL784994 0.82 TAF1 (0.38) RBP4HCRTR1HCRTR2TAF1CECR2
SCHEMBL784869 0.81 TAF1 (0.37) RBP4HCRTR1HCRTR2TAF1CECR2
SCHEMBL785506 0.80 TAF1 (0.38) RBP4HCRTR1HCRTR2TAF1CECR2
SCHEMBL785839 0.78 F10 (0.41) F10RBP4HDAC4CETPSPR
SCHEMBL791229 0.77 F10 (0.38) F10ACACBACACACKS1BSKP1
SCHEMBL790422 0.77 F10 (0.40) F10ACACBACACACKS1BSKP1
SCHEMBL785410 0.76 HCRTR1 (0.37) RBP4HCRTR1HCRTR2MCHR1ACKR3

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 524/4885RBP4 1548/4885ACACB 3318/4885

“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.