SCHEMBL2809928

SCHEMBL2809928

Cc1ncc(C(=O)N[C@@]2(C(=O)NCc3ncc(Nc4ccc(Cl)cc4C(F)(F)F)cc3Cl)CCOC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.38
RAB9A P51151 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
P2RX7 Q99572 2/20 0.34
ANO1 Q5XXA6 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CNR1 P21554 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL2810028 0.94 CNR2 (0.40) CNR2RAB9ATP53MAPTSMN1; SMN2
SCHEMBL2810858 0.94 CNR2 (0.38) CNR2RAB9ATP53MAPTSMN1; SMN2
SCHEMBL2805186 0.93 CNR2 (0.37) CNR2RAB9ATP53MAPTSMN1; SMN2
SCHEMBL2805120 0.92 CNR2 (0.38) CNR2RAB9ATP53MAPTSMN1; SMN2
SCHEMBL2805217 0.92 P2RX7 (0.36) CNR2P2RX7
SCHEMBL10070759 0.92 EPHX2 (0.34) CNR2P2RX7
SCHEMBL187148 0.90 EPHX2 (0.39) CNR2RAB9ATP53MAPTSMN1; SMN2
SCHEMBL2810809 0.90 EPHX2 (0.39) CNR2RAB9ATP53MAPTSMN1; SMN2
SCHEMBL2809554 0.90 CNR2 (0.40) CNR2RAB9ATP53MAPTSMN1; SMN2
SCHEMBL14856574 0.89 CNR2 (0.35) CNR2RAB9ATP53MAPTSMN1; SMN2

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 347/4885TP53 2836/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885RAB9A 347/4885TP53 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.