SCHEMBL2808542

SCHEMBL2808542

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FPR2 P25090 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
KMT2A Q03164 1/20 0.34
PTK2 Q05397 2/20 0.34
KDR P35968 2/20 0.34
EGFR P00533 1/20 0.34
AKT2 P31751 1/20 0.33
OPRM1 P35372 1/20 0.33
MPO P05164 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
MTOR P42345 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
Trifluoroacetic Acid SCHEMBL2813582 0.96 CNR2 (0.39) CNR2NPC1RAB9AFPR2HTR1A
SCHEMBL2807472 0.90 P2RX7 (0.39) CNR2AKT2TRPA1
SCHEMBL2808884 0.90 CNR2 (0.40) CNR2NPC1RAB9AFPR2HTR1A
Hydrochloric Acid SCHEMBL2805225 0.89 P2RX7 (0.39) CNR2AKT2TRPA1
SCHEMBL2805697 0.88 RAB9A (0.41) CNR2NPC1RAB9AKMT2AAKT2
SCHEMBL2811244 0.87 CNR2 (0.41) CNR2PTK2KITFLT3
SCHEMBL2805079 0.87 CNR2 (0.39) CNR2NPC1RAB9AFPR2HTR1A
SCHEMBL2806193 0.86 CNR2 (0.41) CNR2PTK2KDREGFRAKT2
SCHEMBL2805256 0.86 BACE2 (0.42) CNR2RORCTRPA1
Trifluoroacetic Acid SCHEMBL2809036 0.85 RAB9A (0.38) CNR2NPC1RAB9AKMT2AAKT2

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 CNR2 882/4885NPC1 926/4885RAB9A 347/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885NPC1 926/4885RAB9A 347/4885

“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.