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SCHEMBL2809644

SCHEMBL2809644

CN(C)CC(=O)NC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ GAA P10253 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ BDKRB1 P46663 1/20 0.37

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
SCHEMBL2809247 0.90 ALDH1A1 (0.40) ALDH1A1POLBTDP1L3MBTL1KMT2A
SCHEMBL2809250 0.89 ALDH1A1 (0.41) ALDH1A1POLBKMT2AGAAMEN1
SCHEMBL2808562 0.89 ALDH1A1 (0.39) ALDH1A1POLBTDP1L3MBTL1KMT2A
SCHEMBL2808485 0.88 ALDH1A1 (0.38) ALDH1A1POLBTDP1L3MBTL1KMT2A
SCHEMBL2813346 0.87 GAA (0.40) ALDH1A1POLBKMT2AGAAMEN1
SCHEMBL2806687 0.86 GAA (0.42) ALDH1A1POLBL3MBTL1KMT2AGAA
SCHEMBL2809792 0.85 ALDH1A1 (0.43) ALDH1A1POLBL3MBTL1KMT2AGAA
SCHEMBL185966 0.85 BDKRB1 (0.40) ALDH1A1POLBKMT2AGAAMEN1
SCHEMBL13159658 0.85 GAA (0.39) ALDH1A1POLBKMT2AGAAMEN1
SCHEMBL2806680 0.84 RAB9A (0.39) POLBKMT2AGAAMEN1RAB9A

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 ALDH1A1 1000/4885POLB 3203/4885TDP1 2237/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 ALDH1A1 1000/4885POLB 3203/4885TDP1 2237/4885

“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.