SCHEMBL2813652

SCHEMBL2813652

COc1cccc(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccccc4C(F)(F)F)cc3)CCOC2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
GAA P10253 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CCR2 P41597 1/20 0.41
EPHX2 P34913 3/20 0.40
BTK Q06187 1/20 0.40
BDKRB1 P46663 1/20 0.39
MMP13 P45452 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.38
MAPK14 Q16539 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL2808159 0.94 KCNH2 (0.43) KMT2AGAAMAPTBDKRB1ALDH1A1
SCHEMBL2809237 0.91 GAA (0.44) KMT2AGAALMNAMAPTRAB9A
SCHEMBL2804932 0.90 BDKRB1 (0.48) KMT2AGAABTKBDKRB1ALDH1A1
SCHEMBL2804934 0.90 BDKRB1 (0.48) KMT2AGAABTKBDKRB1ALDH1A1
SCHEMBL2805620 0.89 HDAC1 (0.41) KMT2ALMNAMAPTRAB9ABDKRB1
SCHEMBL2808664 0.87 BDKRB1 (0.40) GAAMAPTBTKBDKRB1
SCHEMBL185326 0.87 KMT2A (0.41) KMT2AGAALMNAMAPTRAB9A
SCHEMBL2808667 0.87 BDKRB1 (0.40) GAAMAPTBTKBDKRB1
SCHEMBL2808927 0.86 LMNA (0.39) KMT2AGAALMNAMAPTBTK
SCHEMBL2805499 0.86 BDKRB1 (0.41) GAABTKBDKRB1

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 6 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
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 KMT2A 4682/4885GAA 1561/4885LMNA 2613/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KMT2A 4682/4885GAA 1561/4885LMNA 2613/4885

“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.