SCHEMBL9107566

SCHEMBL9107566

O=C(O)[C@@H]1CCC(=O)N1c1ccc(Cl)s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
ALDH1A1 P00352 2/20 0.42
P2RX7 Q99572 8/20 0.38
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DAO P14920 1/20 0.35
CYP2D6 P10635 1/20 0.34
CHRNA7 P36544 1/20 0.34
ACE P12821 2/20 0.34
HPGD P15428 1/20 0.33
PHGDH O43175 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9110142 1.00 MMP8 (0.43) MMP8MMP12MMP13ALDH1A1P2RX7
SCHEMBL9893153 0.84 MMP8 (0.45) MMP8MMP12MMP13ALDH1A1TSHR
SCHEMBL16480417 0.77 L3MBTL1 (0.37) CNR2L3MBTL1CYP2D6CHRNA7
SCHEMBL2572998 0.74 CNR2 (0.52) P2RX7CNR2PHGDH
SCHEMBL2572997 0.74 CNR2 (0.52) P2RX7CNR2PHGDH
SCHEMBL9891749 0.73 CYP2D6 (0.34) CNR2L3MBTL1CYP2D6CHRNA7
SCHEMBL9893008 0.73 NOTUM (0.35) ALDH1A1CNR2TSHRL3MBTL1CYP2D6
SCHEMBL9104407 0.72 P2RX7 (0.46) P2RX7CNR2ACEPHGDH
SCHEMBL9104394 0.72 P2RX7 (0.46) P2RX7CNR2ACEPHGDH
SCHEMBL9105776 0.71 P2RX7 (0.43) ALDH1A1P2RX7CNR2TSHRCYP2D6

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
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
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
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 MMP8 1429/4885MMP12 1482/4885MMP13 3008/4885

“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.