SCHEMBL3078097

SCHEMBL3078097

Cc1ccnc(N2CCCN(C(=O)O)CC2)n1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.60
PKM P14618 2/20 0.51
KDM4E B2RXH2 7/20 0.50
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 2/20 0.50
GBA1 P04062 5/20 0.49
SORD Q00796 1/20 0.49
TSHR P16473 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL15285931 0.94 SLC6A7 (0.66) SLC6A7KDM4EALDH1A1HSD17B10HPGD
SCHEMBL27722995 0.84 SLC6A7 (0.64) SLC6A7KDM4EALDH1A1HSD17B10HPGD
SCHEMBL13806030 0.83 SORD (0.55) SLC6A7KDM4EALDH1A1HSD17B10HPGD
SCHEMBL17761110 0.82 GBA1 (0.59) KDM4EALDH1A1HSD17B10HPGDGBA1
SCHEMBL3076557 0.81 KDM4E (0.56) SLC6A7KDM4EALDH1A1HSD17B10TSHR
SCHEMBL3069202 0.80 PKM (0.77) SLC6A7PKMKDM4EALDH1A1HPGD
SCHEMBL7904079 0.80 SORD (0.55) SLC6A7KDM4EALDH1A1HSD17B10HPGD
SCHEMBL18228454 0.80 SORD (0.55) SLC6A7KDM4EALDH1A1HSD17B10HPGD
SCHEMBL15344918 0.79 SLC6A7 (0.58) SLC6A7KDM4EALDH1A1HSD17B10HPGD
SCHEMBL12597157 0.78 KDM4E (0.55) SLC6A7KDM4EALDH1A1HSD17B10HPGD

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-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US claimed
EP-2215080-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP claimed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 WO claimed
US-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
EP-2215080-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
WO-2009055357-A1 DIAZEPANE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20100261708-A1 Diazepane Compounds Which Modulate The CB2 Receptor CNR1, CNR2, BDKRB2 SLC6A7 3945/4885PKM 3716/4885KDM4E 2422/4885

“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.