SCHEMBL9107624

SCHEMBL9107624

COc1ccc(N2C(=O)CC[C@H]2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 7/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.47
GFER P55789 1/20 0.46
TSHR P16473 1/20 0.46
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C19 P33261 1/20 0.44
CCR1 P32246 1/20 0.44
CCR2 P41597 1/20 0.44

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
SCHEMBL9107636 1.00 TDP1 (0.59) TDP1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL28530745 0.87 TDP1 (0.52) TDP1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL16542470 0.85 TDP1 (0.47) TDP1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL27717255 0.85 L3MBTL1 (0.64) TDP1L3MBTL1ALDH1A1POLBKMT2A
SCHEMBL9108668 0.83 KMT2A (0.51) TDP1ALDH1A1CYP3A4POLBKMT2A
SCHEMBL9108663 0.83 KMT2A (0.51) TDP1ALDH1A1CYP3A4POLBKMT2A
SCHEMBL9108626 0.83 ALDH1A1 (0.46) TDP1L3MBTL1ALDH1A1KMT2ATSHR
SCHEMBL9108623 0.83 ALDH1A1 (0.46) TDP1L3MBTL1ALDH1A1KMT2ATSHR
SCHEMBL28535310 0.82 ALDH1A1 (0.55) TDP1L3MBTL1ALDH1A1CYP1A2CYP3A4
SCHEMBL9107773 0.82 TDP1 (0.45) TDP1ALDH1A1POLBCYP2C19

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 TDP1 4464/4885L3MBTL1 4514/4885ALDH1A1 3279/4885

“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.