SCHEMBL2808884

SCHEMBL2808884

NC(=O)C1(C(=O)NCc2ccc(Nc3ccc(Br)cc3C(F)(F)F)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
KDR P35968 3/20 0.36
TEK Q02763 3/20 0.36
EPHB4 P54760 2/20 0.36
FPR2 P25090 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
FLT3 P36888 4/20 0.33
KIT P10721 2/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33
PTK2 Q05397 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
FLT4 P35916 1/20 0.32
OPRM1 P35372 1/20 0.32

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
SCHEMBL2782482 0.91 P2RX7 (0.38) CNR2FLT3KITMAPK10
SCHEMBL2808542 0.90 CNR2 (0.41) CNR2KDRTEKEPHB4FPR2
SCHEMBL2780230 0.89 CNR2 (0.40) CNR2KDRTEKEPHB4NPC1
SCHEMBL2777065 0.89 CNR2 (0.40) CNR2FLT3KITPTK2
SCHEMBL2780094 0.86 BACE2 (0.40) CNR2KDR
Trifluoroacetic Acid SCHEMBL2813582 0.86 CNR2 (0.39) CNR2KDRTEKEPHB4FPR2
SCHEMBL2779291 0.85 CNR2 (0.40) CNR2KDRTEKEPHB4EGFR
SCHEMBL2805079 0.84 CNR2 (0.39) CNR2KDRFPR2NPC1RAB9A
SCHEMBL2807621 0.82 CNR2 (0.40) CNR2KDRNPC1RAB9AFLT3
SCHEMBL2782634 0.82 MEN1 (0.39) KDRKMT2AFLT4

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 3 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

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 CNR2 882/4885KDR 4285/4885TEK 4116/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885KDR 4285/4885TEK 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.