SCHEMBL9105511

SCHEMBL9105511

CCc1ccc(N2C(=O)CC[C@H]2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CCR1 P32246 1/20 0.44
CCR2 P41597 1/20 0.44
PHGDH O43175 1/20 0.43
POLB P06746 2/20 0.43
PTGER2 P43116 2/20 0.43
PTGER3 P43115 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTGDR Q13258 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 2/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
ACE P12821 2/20 0.40

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
SCHEMBL9105521 1.00 ALDH1A1 (0.46) ALDH1A1CCR1CCR2PHGDHPOLB
SCHEMBL3805887 0.87 PHGDH (0.41) PHGDHPTGER2PTGER3TDP1PTGDR
SCHEMBL13284548 0.85 PHGDH (0.41) PHGDHPTGER2PTGER3TDP1PTGDR
SCHEMBL9104331 0.85 P2RX7 (0.41) PHGDHPTGER2PTGER3CYP2C19TDP1
SCHEMBL9106669 0.85 P2RX7 (0.41) PHGDHPTGER2PTGER3CYP2C19TDP1
SCHEMBL9106824 0.85 PTGER2 (0.44) ALDH1A1PHGDHPTGER2PTGER3TDP1
SCHEMBL2568393 0.85 PTGER2 (0.44) ALDH1A1PHGDHPTGER2PTGER3TDP1
SCHEMBL9108668 0.83 KMT2A (0.51) ALDH1A1CCR1CCR2PHGDHPOLB
SCHEMBL9108663 0.83 KMT2A (0.51) ALDH1A1CCR1CCR2PHGDHPOLB
SCHEMBL13284935 0.81 ESR1 (0.46) PHGDHPTGER2PTGER3CYP2C19TDP1

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 9 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
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 ALDH1A1 3279/4885CCR1 158/4885CCR2 6/4885

“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.