SCHEMBL2807542

SCHEMBL2807542

O=C(N[C@@]1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1)c1cnco1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
BDKRB1 P46663 2/20 0.37
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35
SCD O00767 5/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AURKA O14965 1/20 0.34
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
PTK2 Q05397 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
SCHEMBL2806710 0.88 BDKRB1 (0.46) NAMPTCTDSP1BDKRB1MYCMAX
SCHEMBL2811098 0.87 NAMPT (0.41) NAMPTBDKRB1MYCMAXAURKA
SCHEMBL2811096 0.87 NAMPT (0.41) NAMPTBDKRB1MYCMAXAURKA
SCHEMBL13128501 0.87 SMN1; SMN2 (0.41) CTDSP1MYCMAXALDH1A1MAPT
SCHEMBL186353 0.87 NAMPT (0.37) NAMPTCTDSP1BDKRB1MYCMAX
SCHEMBL2805433 0.87 AR (0.38) CTDSP1BDKRB1MYCMAXSCD
SCHEMBL2809658 0.86 CYP1A2 (0.39) NAMPTBDKRB1ALDH1A1MAPTHPGD
SCHEMBL2804848 0.86 BDKRB1 (0.38) CTDSP1BDKRB1MYCMAXSCD
SCHEMBL13128468 0.86 BDKRB1 (0.38) NAMPTCTDSP1BDKRB1MYCMAX
SCHEMBL2811689 0.85 BDKRB1 (0.45) CTDSP1BDKRB1MYCMAXSCD

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 NAMPT 3026/4885CTDSP1 4271/4885BDKRB1 289/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 NAMPT 3026/4885CTDSP1 4271/4885BDKRB1 289/4885

“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.