SCHEMBL2780924

SCHEMBL2780924

NC(=O)C1(C(=O)NCc2ccc(Nc3ccc(Cl)cc3Br)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
TEK Q02763 1/20 0.37
KMT2A Q03164 5/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
DHODH Q02127 1/20 0.35
MEN1 O00255 4/20 0.34
USP2 O75604 1/20 0.34
PABPC1 P11940 1/20 0.34
FPR2 P25090 1/20 0.33
POLB P06746 1/20 0.33
MET P08581 1/20 0.33
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HPGD P15428 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
MAPT P10636 2/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31

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 0.89 KMT2A (0.38) KDREPHB4TEKKMT2ARAB9A
SCHEMBL2780230 0.86 CNR2 (0.40) KDREPHB4TEKKMT2ARAB9A
SCHEMBL2779585 0.83 AURKA (0.40) KDREPHB4TEKKMT2ARAB9A
SCHEMBL2782852 0.82 DHODH (0.39) KDREPHB4TEKKMT2ARAB9A
SCHEMBL2808884 0.80 CNR2 (0.40) KDREPHB4TEKKMT2ARAB9A
SCHEMBL2808636 0.79 BDKRB1 (0.41) KMT2ARAB9ANPC1DHODHFPR2
SCHEMBL2782482 0.78 P2RX7 (0.38) METHDAC1HDAC2P2RX7
SCHEMBL14856806 0.77 TRPV1 (0.36) KMT2ARAB9ANPC1DHODHMEN1
SCHEMBL2777065 0.76 CNR2 (0.40) METHDAC1
SCHEMBL2783012 0.75 JAK1 (0.39) NPC1MET

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 4 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
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
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 KDR 4285/4885EPHB4 3293/4885TEK 4116/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KDR 4285/4885EPHB4 3293/4885TEK 4116/4885

“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.