Sugi Predict

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SCHEMBL185963

SCHEMBL185963

Cc1ccc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Br)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 1/20 0.39
▸ CNR2 P34972 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KLF5 Q13887 1/20 0.35
▸ CTSL P07711 2/20 0.35
▸ CTSB P07858 2/20 0.35
▸ CTSS P25774 2/20 0.35
▸ PTK2 Q05397 2/20 0.35
▸ BDKRB1 P46663 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ SORT1 Q99523 1/20 0.34
▸ TNK2 Q07912 2/20 0.34
▸ MAP4K2 Q12851 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ PTGFR P43088 1/20 0.33
▸ HTR1A P08908 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
SCHEMBL2805326 0.92 CNR2 (0.37) FPR2CNR2CTSLCTSBCTSS
SCHEMBL186050 0.92 CNR1 (0.36) CNR2PTK2BDKRB1GRM5TNK2
SCHEMBL185691 0.92 CNR2 (0.38) CNR2CTSLCTSBCTSSPTK2
SCHEMBL186154 0.91 CNR2 (0.37) FPR2CNR2RAB9ACTSLCTSB
SCHEMBL186861 0.91 CNR2 (0.37) CNR2CTSLCTSBCTSSPTK2
SCHEMBL13128577 0.91 CNR2 (0.36) CNR2CTSLCTSBCTSSPTK2
SCHEMBL186523 0.91 RAB9A (0.39) CNR2RAB9ACTSLPTK2BDKRB1
SCHEMBL186671 0.90 CNR2 (0.37) FPR2CNR2CTSLCTSBCTSS
SCHEMBL186380 0.90 BDKRB1 (0.37) CNR2MEN1KMT2ACTSLCTSB
SCHEMBL2806916 0.89 CNR2 (0.37) FPR2CNR2RAB9AKMT2ACTSL

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 9 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
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 — — 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
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 FPR2 846/4885CNR2 882/4885MEN1 314/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 FPR2 846/4885CNR2 882/4885MEN1 314/4885

“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.