SCHEMBL10257578

SCHEMBL10257578

CCc1ccc(NC(=O)N2CCCN(C(=O)C3CCCCC3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.71
▸ RAB9A P51151 6/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ CNR2 P34972 5/20 0.71
▸ MAPT P10636 4/20 0.56
▸ TP53 P04637 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ NAMPT P43490 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.54
▸ FAAH O00519 1/20 0.53
▸ PTPN1 P18031 1/20 0.52
▸ CCR2 P41597 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51

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
SCHEMBL10253740 0.89 CNR2 (0.69) NPC1RAB9AKMT2ACNR2MAPT
SCHEMBL10253212 0.87 CNR2 (0.70) NPC1RAB9AKMT2ACNR2MAPT
SCHEMBL10253825 0.84 CNR2 (0.72) NPC1RAB9AKMT2ACNR2SMN1; SMN2
SCHEMBL10253249 0.83 CNR2 (0.78) NPC1RAB9AKMT2ACNR2MAPT
SCHEMBL10253053 0.83 CNR2 (0.71) NPC1RAB9AKMT2ACNR2MAPT
SCHEMBL10253343 0.83 CNR2 (1.00) CNR2MAPTNAMPTALDH1A1PTPN1
SCHEMBL8361622 0.83 RAB9A (0.97) NPC1RAB9AKMT2ACNR2MAPT
SCHEMBL10253397 0.82 CNR2 (0.79) NPC1RAB9AKMT2ACNR2MAPT
SCHEMBL10253368 0.81 CNR2 (1.00) CNR2MAPTNAMPTALDH1A1KCNH2
SCHEMBL10253447 0.81 CNR2 (0.78) CNR2MAPTNAMPTPTPN1CCR2

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 5 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-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
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 NPC1 1425/4885RAB9A 2182/4885KMT2A 3896/4885

“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.

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