SCHEMBL16237625

SCHEMBL16237625

O=C(O)[C@@H]1CCCCN1C(=O)CC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.52
▸ CNR2 P34972 1/20 0.52
▸ ACE P12821 4/20 0.48
▸ PREP P48147 2/20 0.41
▸ MVD P53602 2/20 0.41
▸ REN P00797 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3708227 1.00 CNR1 (0.52) CNR1CNR2ACEPREPMVD
SCHEMBL3184833 0.89 ACE (0.54) ACEPREPMVDRENLMNA
SCHEMBL3184400 0.89 ACE (0.54) ACEPREPMVDRENLMNA
SCHEMBL3184389 0.89 ACE (0.54) ACEPREPMVDRENLMNA
SCHEMBL3177953 0.85 ACE (0.58) ACEMVDRENLMNACYP2C19
SCHEMBL3168144 0.85 ACE (0.58) ACEMVDRENLMNACYP2C19
SCHEMBL3168154 0.85 ACE (0.58) ACEMVDRENLMNACYP2C19
SCHEMBL16254979 0.80 CNR1 (0.47) CNR1CNR2
SCHEMBL3718336 0.79 HSD17B10 (0.49) ACEMVDLMNACYP2C19HSD17B10
SCHEMBL3718332 0.79 HSD17B10 (0.49) ACEMVDLMNACYP2C19HSD17B10

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 2 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 disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — 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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR1 2/4885CNR2 1/4885ACE 3829/4885

“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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