SCHEMBL2677816

SCHEMBL2677816

O=C(O)N1CCCN(C(=O)C2CCCCC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
TSHR P16473 1/20 0.76
LMNA P02545 1/20 0.68
HPGD P15428 2/20 0.63
HSD11B1 P28845 6/20 0.58
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
KMT2A Q03164 1/20 0.49
HSD11B2 P80365 2/20 0.49
FASN P49327 1/20 0.47
GRM5 P41594 1/20 0.47

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
SCHEMBL2676701 1.00 ALDH1A1 (0.76) ALDH1A1TSHRLMNAHPGDHSD11B1
SCHEMBL2677613 0.98 ALDH1A1 (0.72) ALDH1A1TSHRLMNAHPGDHSD11B1
SCHEMBL3828585 0.94 ALDH1A1 (0.78) ALDH1A1TSHRLMNAHPGDHSD11B1
SCHEMBL26124277 0.92 HPGD (0.68) ALDH1A1TSHRLMNAHPGDHSD11B1
SCHEMBL1309352 0.89 ALDH1A1 (0.86) ALDH1A1TSHRLMNAHPGDHSD11B1
SCHEMBL493733 0.88 HPGD (0.61) ALDH1A1TSHRLMNAHPGDHSD11B1
SCHEMBL10559542 0.87 ALDH1A1 (1.00) ALDH1A1TSHRLMNAHPGDHSD11B1
SCHEMBL7131881 0.87 ALDH1A1 (1.00) ALDH1A1TSHRLMNAHPGDHSD11B1
SCHEMBL3703105 0.87 ALDH1A1 (0.81) ALDH1A1TSHRLMNAHPGDHSD11B1
SCHEMBL27752273 0.86 HPGD (0.72) ALDH1A1TSHRLMNAHPGDHSD11B1

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 ALDH1A1 1695/4885TSHR 995/4885LMNA 4379/4885

“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.