SCHEMBL2677357

SCHEMBL2677357

CC1(O)CCC(C(=O)N2CCCN(C(=O)O)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 1/20 0.47
HSD11B1 P28845 2/20 0.41
GRM5 P41594 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL16841464 0.88 HPGD (0.61) HTTLMNAALDH1A1HPGDTSHR
SCHEMBL26124277 0.82 HPGD (0.68) HTTLMNAALDH1A1HPGDTSHR
SCHEMBL2677418 0.82 ALDH1A1 (0.48) HTTLMNAALDH1A1HPGDTSHR
SCHEMBL2677613 0.81 ALDH1A1 (0.72) HTTLMNAALDH1A1HPGDTSHR
SCHEMBL2676701 0.79 ALDH1A1 (0.76) HTTLMNAALDH1A1HPGDTSHR
SCHEMBL2677816 0.79 ALDH1A1 (0.76) HTTLMNAALDH1A1HPGDTSHR
SCHEMBL493733 0.79 HPGD (0.61) HTTLMNAALDH1A1HPGDTSHR
SCHEMBL2818946 0.77 HPGD (0.55) HTTLMNAALDH1A1HPGDTSHR
SCHEMBL2677916 0.77 HTT (0.53) HTTLMNAALDH1A1HPGDTSHR
SCHEMBL3828585 0.77 ALDH1A1 (0.78) HTTLMNAALDH1A1HPGDTSHR

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 5 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

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 4549/4885LMNA 4379/4885ALDH1A1 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.