SCHEMBL3713849

SCHEMBL3713849

O=C(O)C1CCCCN1Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.54
MCHR1 Q99705 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
CD274 Q9NZQ7 7/20 0.51
PDCD1 Q15116 4/20 0.51
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.48
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.46
CCR2 P41597 1/20 0.46

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
SCHEMBL3713847 1.00 NPBWR1 (0.54) NPBWR1MCHR1SMN1; SMN2CNR1CNR2
SCHEMBL3148407 0.95 CYP1A2 (0.51) NPBWR1MCHR1SMN1; SMN2CNR1CNR2
SCHEMBL2032294 0.95 CYP1A2 (0.51) NPBWR1MCHR1SMN1; SMN2CNR1CNR2
SCHEMBL1817183 0.95 CYP1A2 (0.51) NPBWR1MCHR1SMN1; SMN2CNR1CNR2
SCHEMBL5702015 0.89 S1PR5 (0.46) NPBWR1MCHR1CD274PDCD1CCR2
SCHEMBL5701943 0.89 S1PR5 (0.46) NPBWR1MCHR1CD274PDCD1CCR2
SCHEMBL3713831 0.88 SMN1; SMN2 (0.63) MCHR1SMN1; SMN2CNR2CD274PDCD1
SCHEMBL3713829 0.88 SMN1; SMN2 (0.63) MCHR1SMN1; SMN2CNR2CD274PDCD1
SCHEMBL16714062 0.88 SMN1; SMN2 (0.63) MCHR1SMN1; SMN2CNR2CD274PDCD1
Hydrochloric Acid SCHEMBL2500262 0.86 SMN1; SMN2 (0.61) MCHR1SMN1; SMN2CNR2CD274PDCD1

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 NPBWR1 155/4885MCHR1 393/4885SMN1; SMN2 4609/4885

“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.