SCHEMBL13256997

SCHEMBL13256997

CCn1nc(NC(=O)[C@@H]2CCCCN2C2CCOCC2)nc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.48
CNR1 P21554 8/20 0.44
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
JAK1 P23458 2/20 0.36
KCNK3 O14649 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
AADAT Q8N5Z0 1/20 0.36

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
SCHEMBL13256989 0.86 CNR2 (0.51) CNR2CNR1JAK1KCNK3LMNA
SCHEMBL3790780 0.86 CNR2 (0.51) CNR2CNR1JAK1KCNK3LMNA
SCHEMBL3711811 0.78 MEN1 (0.54) CNR2LMNA
SCHEMBL16238087 0.76 CNR2 (0.61) CNR2CNR1JAK1
SCHEMBL13256841 0.74 SMN1; SMN2 (0.63) CNR2CNR1LMNA
SCHEMBL13256809 0.74 CTSC (0.42) JAK1LMNA
SCHEMBL16254940 0.74 CNR2 (0.60) CNR2CNR1LMNA
SCHEMBL13257042 0.74 CNR2 (0.60) CNR2CNR1LMNA
SCHEMBL9892784 0.74 CNR2 (0.41) CNR2CNR1JAK1LMNAAADAT
SCHEMBL13257208 0.74 CNR2 (0.44) CNR2CNR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 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 (1 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885KCNJ6 678/4885

“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.