SCHEMBL2808559

SCHEMBL2808559

NC1(C(=O)NCc2ccc(Nc3ccc(Cl)cc3C(F)F)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.39
AKT2 P31751 7/20 0.37
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 2/20 0.36
AKT1 P31749 3/20 0.36
P2RX7 Q99572 1/20 0.35
DHODH Q02127 1/20 0.35
ROCK2 O75116 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35
AKT3 Q9Y243 1/20 0.35
MEN1 O00255 2/20 0.34
USP2 O75604 1/20 0.34
PABPC1 P11940 1/20 0.34
HTR1A P08908 1/20 0.33
POLB P06746 1/20 0.33
METAP2 P50579 1/20 0.33
CNR2 P34972 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL2805231 0.85 KMT2A (0.38) AKT2KMT2ARAB9ANPC1AKT1
SCHEMBL184937 0.84 F11 (0.41) F11KMT2ARAB9ANPC1DHODH
SCHEMBL2805697 0.84 RAB9A (0.41) AKT2KMT2ARAB9ANPC1AKT1
SCHEMBL2807962 0.82 F11 (0.35) F11KMT2ARAB9ANPC1P2RX7
SCHEMBL2808640 0.82 AKT2 (0.44) AKT2KMT2ARAB9ANPC1P2RX7
Trifluoroacetic Acid SCHEMBL2809036 0.81 RAB9A (0.38) AKT2KMT2ARAB9ANPC1P2RX7
SCHEMBL2805915 0.79 DHODH (0.41) KMT2ARAB9ANPC1P2RX7DHODH
SCHEMBL185746 0.79 F11 (0.40) F11KMT2ADHODHMEN1USP2
SCHEMBL13159819 0.78 CNR2 (0.38) KMT2ARAB9ANPC1P2RX7CNR2
SCHEMBL13159990 0.78 F11 (0.30) F11

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 8 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-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 F11 224/4885AKT2 3922/4885KMT2A 4682/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 F11 224/4885AKT2 3922/4885KMT2A 4682/4885

“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.