SCHEMBL10254154

SCHEMBL10254154

CC(C)(C)c1ccc(NC(=O)N2CCCN(C(=O)N3CCOCC3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.71
CNR1 P21554 4/20 0.61
GAA P10253 2/20 0.57
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
KMT2A Q03164 1/20 0.55
ESR2 Q92731 1/20 0.55
BLM P54132 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL10258124 0.88 AKR1C3 (0.62) CNR2CNR1GAAALDH1A1MAPT
SCHEMBL10253733 0.86 CNR2 (0.58) CNR2GAAALDH1A1MAPTNPSR1
SCHEMBL10258141 0.85 MLYCD (0.54) CNR2CNR1GAAALDH1A1MAPT
SCHEMBL10257978 0.84 CNR2 (0.62) CNR2CNR1ALDH1A1MAPTNPSR1
SCHEMBL10257746 0.83 CNR2 (1.00) CNR2CNR1ALDH1A1MAPTNPSR1
SCHEMBL15085797 0.82 CNR2 (0.71) CNR2CNR1ALDH1A1MAPTNPSR1
SCHEMBL10257722 0.82 CNR2 (0.69) CNR2CNR1ALDH1A1MAPTNPSR1
SCHEMBL10253406 0.81 CNR2 (0.84) CNR2CNR1ALDH1A1MAPTNPSR1
SCHEMBL10253798 0.79 RAB9A (0.84) CNR2GAAALDH1A1MAPTNPSR1
SCHEMBL4733411 0.79 CNR2 (0.71) CNR2CNR1ALDH1A1MAPTNPSR1

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-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885GAA 4103/4885

“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.