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SCHEMBL2805326

SCHEMBL2805326

Cc1ncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Br)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.37
▸ BDKRB1 P46663 2/20 0.36
▸ CTSL P07711 3/20 0.34
▸ CTSB P07858 2/20 0.34
▸ CTSS P25774 2/20 0.34
▸ PTK2 Q05397 2/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ FPR2 P25090 2/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ PTGFR P43088 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ EGFR P00533 1/20 0.31

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
SCHEMBL185963 0.92 FPR2 (0.39) CNR2BDKRB1CTSLCTSBCTSS
SCHEMBL2811921 0.92 HDAC3 (0.38) CNR2BDKRB1CTSSPTK2HDAC3
SCHEMBL2805112 0.91 BDKRB1 (0.37) CNR2BDKRB1CTSLCTSBCTSS
SCHEMBL2810893 0.91 BRAF (0.36) CNR2BDKRB1CTSLCTSBCTSS
SCHEMBL2809358 0.91 BDKRB1 (0.40) CNR2BDKRB1CTSLCTSBCTSS
SCHEMBL13128552 0.90 CNR2 (0.39) CNR2BDKRB1CTSLPTK2
SCHEMBL185691 0.90 CNR2 (0.38) CNR2BDKRB1CTSLCTSBCTSS
SCHEMBL186154 0.90 CNR2 (0.37) CNR2BDKRB1CTSLCTSBCTSS
SCHEMBL186861 0.89 CNR2 (0.37) CNR2BDKRB1CTSLCTSBCTSS
SCHEMBL2805079 0.89 CNR2 (0.39) CNR2PTK2HTR1ADRD2DRD4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 — — US disclosed
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 — — US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 — — EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 — — US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 — — WO 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885BDKRB1 289/4885CTSL 1731/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885BDKRB1 289/4885CTSL 1731/4885

“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.