SCHEMBL2809554

SCHEMBL2809554

Cc1ncc(C(=O)N[C@@]2(C(=O)NCc3ccc(Nc4ccc(Cl)cc4C(F)(F)F)cc3)CCOC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.40
PTK2 Q05397 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
BDKRB1 P46663 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
WDR91 A4D1P6 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
POLB P06746 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL2805933 0.92 PTK2 (0.42) CNR2PTK2RAB9ACYP1A2CYP2D6
SCHEMBL13129191 0.92 CNR2 (0.39) CNR2PTK2RAB9ACYP1A2CYP2D6
SCHEMBL2808148 0.92 BDKRB1 (0.40) CNR2PTK2RAB9ACYP1A2CYP2D6
SCHEMBL2809544 0.92 OPRL1 (0.39) CNR2PTK2BDKRB1
SCHEMBL2805619 0.91 BDKRB1 (0.40) CNR2PTK2RAB9ACYP1A2CYP2D6
SCHEMBL2809928 0.90 CNR2 (0.38) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL2810028 0.90 CNR2 (0.40) CNR2RAB9ACYP1A2CYP2D6CYP2C19
SCHEMBL10070600 0.89 PTK2 (0.39) CNR2PTK2CYP1A2CYP2C19BDKRB1
SCHEMBL2806748 0.89 CNR2 (0.42) CNR2PTK2RAB9ACYP1A2CYP2D6
SCHEMBL185978 0.89 CNR2 (0.42) CNR2PTK2RAB9ACYP1A2CYP2D6

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
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

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 882/4885PTK2 3921/4885RAB9A 347/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885PTK2 3921/4885RAB9A 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.