SCHEMBL2676306

SCHEMBL2676306

O=C(CCC1CC1)N1CCCN(C(=O)Nc2cccc3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.58
HSD17B10 Q99714 7/20 0.58
ALDH1A1 P00352 6/20 0.58
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
TSHR P16473 1/20 0.55
CNR2 P34972 4/20 0.53
CNR1 P21554 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KMT2A Q03164 1/20 0.53
PKM P14618 1/20 0.52
HRH4 Q9H3N8 1/20 0.49
TAAR1 Q96RJ0 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
SCHEMBL2677968 0.97 CNR2 (0.58) KDM4EHSD17B10ALDH1A1POLBLMNA
SCHEMBL2676149 0.96 CNR2 (0.57) KDM4EHSD17B10ALDH1A1POLBLMNA
SCHEMBL2677907 0.87 KDM4E (0.58) KDM4EHSD17B10ALDH1A1POLBLMNA
SCHEMBL2679112 0.82 KDM4E (0.61) KDM4EHSD17B10ALDH1A1POLBLMNA
SCHEMBL2677594 0.82 KDM4E (0.64) KDM4EHSD17B10ALDH1A1POLBLMNA
SCHEMBL6852418 0.80 KDM4E (0.76) KDM4EHSD17B10ALDH1A1POLBLMNA
SCHEMBL27979659 0.80 KDM4E (0.85) KDM4EHSD17B10ALDH1A1POLBLMNA
SCHEMBL2676305 0.80 CNR2 (0.64) KDM4EHSD17B10ALDH1A1LMNACNR2
SCHEMBL2677273 0.80 KDM4E (0.63) KDM4EHSD17B10ALDH1A1POLBLMNA
SCHEMBL2677780 0.79 KDM4E (0.66) KDM4EHSD17B10ALDH1A1POLBLMNA

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 4 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
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

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 1708/4885ALDH1A1 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.