SCHEMBL2678633

SCHEMBL2678633

O=C(O)N1CCCN(C(=O)CCC2CCCC2)CC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.66
▸ HSD11B1 P28845 1/20 0.62
▸ ALDH1A1 P00352 7/20 0.60
▸ ATM Q13315 1/20 0.60
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ LMNA P02545 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ CNR2 P34972 4/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HIF1A Q16665 1/20 0.49

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
SCHEMBL2677070 0.98 HSD11B1 (0.65) TP53HSD11B1ALDH1A1ATMKMT2A
SCHEMBL2679182 0.95 TP53 (0.58) TP53HSD11B1ALDH1A1ATMKMT2A
SCHEMBL22602813 0.89 HSD11B1 (0.70) TP53HSD11B1ALDH1A1ATMKMT2A
SCHEMBL7217209 0.87 TP53 (0.71) TP53HSD11B1ALDH1A1ATMKMT2A
SCHEMBL3952911 0.85 HSD11B1 (0.70) TP53HSD11B1ALDH1A1ATMKMT2A
SCHEMBL5517503 0.85 HSD11B1 (0.70) TP53HSD11B1ALDH1A1ATMKMT2A
SCHEMBL2676443 0.82 CNR2 (0.49) TP53HSD11B1ALDH1A1ATMCNR2
SCHEMBL31487813 0.81 TP53 (0.62) TP53HSD11B1ALDH1A1ATMKMT2A
SCHEMBL2678553 0.81 KDM4E (0.49) TP53HSD11B1ALDH1A1KMT2AMEN1
SCHEMBL25447312 0.79 HSD11B1 (0.57) TP53HSD11B1ALDH1A1ATMKMT2A

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 6 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-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 TP53 4862/4885HSD11B1 1004/4885ALDH1A1 1695/4885

“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.

Send feedback