SCHEMBL3711892

SCHEMBL3711892

O=C(O)C1CCCCN1c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.51
CNR1 P21554 2/20 0.51
FFAR1 O14842 2/20 0.49
NOTUM Q6P988 1/20 0.49
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 3/20 0.45
AKR1C3 P42330 2/20 0.44
BRS3 P32247 1/20 0.44
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK3 Q00526 1/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL3711890 1.00 CNR2 (0.51) CNR2CNR1FFAR1NOTUMCYP2C8
SCHEMBL3713737 0.98 CNR2 (0.50) CNR2CNR1FFAR1NOTUMCYP2C8
SCHEMBL3713738 0.98 CNR2 (0.50) CNR2CNR1FFAR1NOTUMCYP2C8
SCHEMBL9104214 0.95 FFAR1 (0.53) CNR2CNR1FFAR1NOTUMCYP2C8
SCHEMBL3708048 0.95 FFAR1 (0.53) CNR2CNR1FFAR1NOTUMCYP2C8
SCHEMBL1274844 0.95 FFAR1 (0.53) CNR2CNR1FFAR1NOTUMCYP2C8
SCHEMBL2121764 0.88 NOTUM (0.53) CNR2CNR1FFAR1NOTUMCYP2C8
SCHEMBL2121761 0.88 NOTUM (0.53) CNR2CNR1FFAR1NOTUMCYP2C8
SCHEMBL8104378 0.85 SMN1; SMN2 (0.46) NOTUMALDH1A1BRS3HTTSMN1; SMN2
SCHEMBL13603832 0.85 SMN1; SMN2 (0.46) NOTUMALDH1A1BRS3HTTSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US claimed
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP claimed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO claimed
US-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885FFAR1 204/4885

“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.