SCHEMBL9107935

SCHEMBL9107935

O=C(O)[C@@H]1C[C@@H](O)CN1C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MME P08473 1/20 0.37
OGFRL1 Q5TC84 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
ACE P12821 3/20 0.34

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
SCHEMBL9107125 0.98 ATM (0.46) ATMCNR1CNR2MMEOGFRL1
SCHEMBL29625942 0.98 ATM (0.46) ATMCNR1CNR2MMEOGFRL1
SCHEMBL9109795 0.92 ATM (0.50) ATMCNR1CNR2MMEALDH1A1
SCHEMBL9108330 0.84 ATM (0.43) ATMCNR1CNR2MMEGAA
SCHEMBL9106115 0.84 ATM (0.43) ATMCNR1CNR2MMEGAA
SCHEMBL6508319 0.81 CNR1 (0.43) ATMCNR1CNR2MMEOGFRL1
SCHEMBL992855 0.71 POLB (0.35) GAAPOLBACE
SCHEMBL28153658 0.70 ATM (0.57) ATMMMEALDH1A1GAAACE
SCHEMBL3718206 0.69 CNR2 (0.40) CNR1CNR2ALDH1A1ACE
SCHEMBL5080962 0.69 POLB (0.38) CNR1CNR2ALDH1A1GAAPOLB

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 ATM 4704/4885CNR1 2/4885CNR2 1/4885

“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.