SCHEMBL2677301

SCHEMBL2677301

O=C(CCC1CCCC1)N1CCCN(C(=O)NC2CCCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.61
▸ HSD11B1 P28845 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ CNR2 P34972 4/20 0.55
▸ CNR1 P21554 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ POLB P06746 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ PKM P14618 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ KDM4E B2RXH2 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
SCHEMBL22602813 0.84 HSD11B1 (0.70) HSD11B1TP53CNR2CNR1ALDH1A1
SCHEMBL2677296 0.83 HSD11B1 (0.57) HSD11B1TP53CNR2CNR1ALDH1A1
SCHEMBL3952911 0.81 HSD11B1 (0.70) HSD11B1TP53CNR2CNR1ALDH1A1
SCHEMBL5517503 0.81 HSD11B1 (0.70) HSD11B1TP53CNR2CNR1ALDH1A1
SCHEMBL4397011 0.81 HTT (0.92) HTTCNR2CNR1POLBHSD17B10
SCHEMBL2677070 0.80 HSD11B1 (0.65) HSD11B1TP53CNR2CNR1ALDH1A1
SCHEMBL7217209 0.79 TP53 (0.71) HSD11B1TP53CNR2CNR1ALDH1A1
SCHEMBL27979494 0.79 HTT (0.88) HTTCNR2CNR1POLBHSD17B10
SCHEMBL4559772 0.79 HTT (0.88) HTTCNR2CNR1POLBHSD17B10
SCHEMBL2678633 0.79 TP53 (0.66) HSD11B1TP53CNR2CNR1ALDH1A1

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 11 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-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
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
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 HTT 4549/4885HSD11B1 1004/4885TP53 4862/4885

“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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