SCHEMBL2810028

SCHEMBL2810028

Cc1ncc(C(=O)N[C@@]2(C(=O)NCc3ncc(Nc4ccc(Cl)cc4C(F)(F)F)cc3C)CCOC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.40
RAB9A P51151 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
TP53 P04637 2/20 0.33
ANO1 Q5XXA6 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE2A O00408 1/20 0.33
P2RX7 Q99572 2/20 0.32
GNRHR P30968 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CNR1 P21554 1/20 0.32
DDR1 Q08345 1/20 0.32
LMNA P02545 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
SCHEMBL2809928 0.94 CNR2 (0.38) CNR2RAB9ACYP1A2CYP2C19CYP2D6
SCHEMBL2810858 0.94 CNR2 (0.38) CNR2RAB9ACYP1A2CYP2C19CYP2D6
SCHEMBL2808146 0.93 OPRL1 (0.38) CNR2PDE2AP2RX7
SCHEMBL2805241 0.93 RAB9A (0.38) CNR2RAB9ACYP1A2CYP2C19CYP2D6
SCHEMBL2807541 0.90 DHODH (0.35) CNR2CYP1A2CYP2C19TP53SMN1; SMN2
SCHEMBL2809554 0.90 CNR2 (0.40) CNR2RAB9ACYP1A2CYP2C19CYP2D6
SCHEMBL185700 0.90 CNR2 (0.38) CNR2RAB9ACYP1A2CYP2C19CYP2D6
SCHEMBL2808203 0.90 CNR2 (0.38) CNR2RAB9ACYP1A2CYP2C19CYP2D6
SCHEMBL186076 0.89 CNR2 (0.37) CNR2RAB9ACYP1A2CYP2C19CYP2D6
SCHEMBL13129191 0.89 CNR2 (0.39) CNR2RAB9ACYP1A2CYP2C19CYP2D6

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 882/4885RAB9A 347/4885CYP1A2 892/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885RAB9A 347/4885CYP1A2 892/4885

“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.