SCHEMBL2677147

SCHEMBL2677147

CC(C)(C)C(=O)N1CCCN(C(=O)Nc2ccc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
FAAH O00519 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
P2RY12 Q9H244 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
KLK7 P49862 1/20 0.46
POLB P06746 1/20 0.46
CNR2 P34972 1/20 0.46

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
SCHEMBL6852416 0.85 KDM4E (0.62) KDM4EHSD17B10NPSR1FAAHMEN1
SCHEMBL9188898 0.85 FAAH (0.62) KDM4EHSD17B10NPSR1FAAHMEN1
SCHEMBL2677590 0.84 KDM4E (0.58) KDM4EHSD17B10NPSR1FAAHMEN1
SCHEMBL830749 0.84 RAB9A (0.64) KDM4EHSD17B10NPSR1MEN1KMT2A
SCHEMBL2677953 0.80 RAB9A (0.57) KDM4ERAB9ANPC1ALDH1A1P2RY12
SCHEMBL10253430 0.80 CNR2 (0.63) FAAHKMT2ARAB9ANPC1TP53
SCHEMBL10257722 0.79 CNR2 (0.69) NPSR1ALDH1A1CNR2
SCHEMBL2677776 0.79 CNR2 (0.62) KDM4EHSD17B10NPSR1FAAHMEN1
SCHEMBL2677586 0.78 CNR2 (0.63) KDM4EHSD17B10NPSR1FAAHMEN1
SCHEMBL2676305 0.78 CNR2 (0.64) KDM4EHSD17B10NPSR1FAAHSMN1; 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 11 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 claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
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
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 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
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 KDM4E 3926/4885HSD17B10 1708/4885NPSR1 52/4885

“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.