SCHEMBL2676212

SCHEMBL2676212

O=C(O)N1CCCN(C(=O)C2CCCCO2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
POLB P06746 2/20 0.52
ALDH1A1 P00352 5/20 0.50
FASN P49327 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TSHR P16473 2/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CNR2 P34972 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL2677323 0.95 RECQL (0.59) RECQLPOLBALDH1A1FASNKDM4E
SCHEMBL20178173 0.88 RECQL (0.57) RECQLPOLBALDH1A1FASNKDM4E
SCHEMBL28313549 0.88 RECQL (0.57) RECQLPOLBALDH1A1FASNKDM4E
SCHEMBL12489672 0.82 RECQL (0.63) RECQLPOLBALDH1A1FASNKDM4E
SCHEMBL28312550 0.82 RECQL (0.63) RECQLPOLBALDH1A1FASNKDM4E
SCHEMBL11969437 0.80 RECQL (0.61) RECQLPOLBALDH1A1FASNKDM4E
SCHEMBL16377762 0.79 RECQL (0.60) RECQLPOLBALDH1A1FASNKDM4E
SCHEMBL15431609 0.78 RECQL (0.55) RECQLPOLBALDH1A1FASNKDM4E
SCHEMBL11508133 0.78 CHRNB2 (0.52) RECQLPOLBALDH1A1FASNKDM4E
SCHEMBL1372881 0.77 RECQL (0.62) RECQLPOLBALDH1A1FASNKDM4E

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 RECQL 4563/4885POLB 4259/4885ALDH1A1 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.