SCHEMBL2810744

SCHEMBL2810744

Cn1cc(C(=O)NC2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cn3)CC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR2 P34972 4/20 0.36
BDKRB1 P46663 1/20 0.36
ROS1 P08922 1/20 0.35
ALK Q9UM73 1/20 0.35
MAPK8 P45983 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CLK1 P49759 1/20 0.34
CTSL P07711 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
P2RX7 Q99572 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
SCHEMBL13128552 0.88 CNR2 (0.39) SMN1; SMN2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL13128554 0.88 P2RX3 (0.38) SMN1; SMN2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2808761 0.87 BDKRB1 (0.40) RAB9ACYP1A2CYP2D6CYP2C19CNR2
SCHEMBL2810010 0.87 RAB9A (0.39) SMN1; SMN2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL250768 0.87 CNR2 (0.36) PROKR1SMN1; SMN2CNR2ROS1ALK
SCHEMBL2808185 0.87 RAB9A (0.37) PROKR1SMN1; SMN2RAB9ACYP1A2CYP2D6
SCHEMBL2806675 0.87 PTK2 (0.38) SMN1; SMN2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL186523 0.87 RAB9A (0.39) SMN1; SMN2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL185699 0.87 RAB9A (0.37) PROKR1RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL186019 0.87 BDKRB1 (0.40) SMN1; SMN2RAB9ACYP1A2CYP2D6CYP2C19

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 PROKR1 642/4885SMN1; SMN2 4025/4885RAB9A 347/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 PROKR1 642/4885SMN1; SMN2 4025/4885RAB9A 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.