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SCHEMBL2809241

SCHEMBL2809241

Nc1ncc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(F)cc4C(F)(F)F)cn3)CC2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ HDAC3 O15379 4/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ P2RX7 Q99572 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MDM2 Q00987 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ UBA2 Q9UBT2 1/20 0.34
▸ AURKA O14965 2/20 0.33
▸ TRPA1 O75762 2/20 0.33
▸ NCOR2 Q9Y618 2/20 0.33
▸ PTK2 Q05397 1/20 0.32
▸ BDKRB1 P46663 1/20 0.32
▸ ULK1 O75385 1/20 0.32
▸ NAMPT P43490 1/20 0.32

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
SCHEMBL2811663 0.91 AR (0.36) CNR2BACE1HDAC3HDAC1HDAC2
SCHEMBL2806201 0.88 NPC1 (0.36) CNR2BACE1HDAC3HDAC1HDAC2
SCHEMBL2813235 0.88 OGA (0.34) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL2807987 0.88 BDKRB1 (0.35) CNR2BACE1HDAC3HDAC1HDAC2
SCHEMBL14856424 0.88 P2RX7 (0.33) CNR2BACE1HDAC3HDAC1HDAC2
SCHEMBL186398 0.87 HDAC1 (0.35) CNR2BACE1HDAC3HDAC1HDAC2
SCHEMBL2812751 0.87 P2RX7 (0.37) CNR2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13128574 0.86 CNR2 (0.35) CNR2BACE1HDAC3HDAC1HDAC2
SCHEMBL2805698 0.86 BDKRB1 (0.40) CNR2BACE1HDAC3HDAC1HDAC2
SCHEMBL2805859 0.86 BDKRB1 (0.41) CNR2HDAC3HDAC1HDAC2HDAC6

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 882/4885BACE1 2127/4885HDAC3 1696/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885BACE1 2127/4885HDAC3 1696/4885

“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.