SCHEMBL16239264

SCHEMBL16239264

CCn1nc(N)nc1-c1ccccc1.O=C(O)[C@@H]1CCCCN1CC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.42
CNR2 P34972 2/20 0.42
PDCD1 Q15116 15/20 0.40
CD274 Q9NZQ7 15/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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 0.83 CNR2 (0.51) CNR1CNR2SMN1; SMN2
SCHEMBL3790780 0.83 CNR2 (0.51) CNR1CNR2SMN1; SMN2
SCHEMBL16238661 0.79 CNR1 (0.46) CNR1CNR2PDCD1CD274SMN1; SMN2
SCHEMBL16238780 0.78 ALDH1A1 (0.49) CNR1CNR2PDCD1CD274SMN1; SMN2
SCHEMBL16238430 0.78 PDCD1 (0.38) PDCD1CD274SMN1; SMN2RAB9A
SCHEMBL16238765 0.78 CNR2 (0.43) CNR1CNR2PDCD1CD274SMN1; SMN2
SCHEMBL16238760 0.77 CNR1 (0.49) CNR1CNR2PDCD1CD274SMN1; SMN2
SCHEMBL3710751 0.74 HSD11B1 (0.53) CNR1CNR2SMN1; SMN2
SCHEMBL3710748 0.74 HSD11B1 (0.53) CNR1CNR2SMN1; SMN2
SCHEMBL3713502 0.73 HSD11B1 (0.52) CNR1CNR2SMN1; 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 2 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 claimed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed

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 CNR1 2/4885CNR2 1/4885PDCD1 3527/4885

“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.