SCHEMBL2807076

SCHEMBL2807076

Cn1cnc2cc(C(=O)NC3(C(=O)NCc4ccc(Nc5ccc(Cl)cc5C(F)(F)F)cn4)CC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GFER P55789 1/20 0.37
NAMPT P43490 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR2 P34972 3/20 0.35
PPARG P37231 2/20 0.34
RORC P51449 3/20 0.33
CTSL P07711 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 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
SCHEMBL14856749 0.88 CNR2 (0.35) RAB9ANPC1TP53SMN1; SMN2GFER
SCHEMBL13128554 0.87 P2RX3 (0.38) RAB9ATP53SMN1; SMN2CYP1A2CYP2D6
SCHEMBL2810744 0.85 PROKR1 (0.40) RAB9ATP53SMN1; SMN2CYP1A2CYP2D6
SCHEMBL186523 0.85 RAB9A (0.39) RAB9ATP53SMN1; SMN2CYP1A2CYP2D6
SCHEMBL13128552 0.84 CNR2 (0.39) RAB9ATP53SMN1; SMN2CYP1A2CYP2D6
SCHEMBL2809567 0.84 POLB (0.38) RAB9ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL185549 0.84 CYP1A2 (0.39) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL186307 0.84 RAB9A (0.40) RAB9ATP53SMN1; SMN2CYP1A2CYP2D6
SCHEMBL2810010 0.84 RAB9A (0.39) RAB9ATP53SMN1; SMN2CYP1A2CYP2D6
SCHEMBL2808761 0.84 BDKRB1 (0.40) RAB9ACYP1A2CYP2D6CYP2C19CNR2

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 7 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
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 RAB9A 347/4885NPC1 926/4885TP53 2836/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 RAB9A 347/4885NPC1 926/4885TP53 2836/4885

“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.