SCHEMBL9106399

SCHEMBL9106399

COc1ccc(N2C(=O)CC[C@H]2C(=O)O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
TSHR P16473 2/20 0.42
GYS1 P13807 1/20 0.42
HPGD P15428 2/20 0.41
HDAC5 Q9UQL6 1/20 0.40
UGCG Q16739 1/20 0.40
HTR7 P34969 1/20 0.40
PDE5A O76074 2/20 0.39
PHGDH O43175 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
CNR2 P34972 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
SCHEMBL9106403 1.00 KMT2A (0.48) KMT2ATDP1LMNAMAPK1HTT
SCHEMBL9106736 0.85 TSHR (0.52) KMT2ATDP1HDAC1HDAC8HDAC6
SCHEMBL9106744 0.85 TSHR (0.52) KMT2ATDP1HDAC1HDAC8HDAC6
SCHEMBL9109215 0.83 CCR1 (0.47) KMT2ATDP1HDAC1HDAC8HDAC6
SCHEMBL9109207 0.83 CCR1 (0.47) KMT2ATDP1HDAC1HDAC8HDAC6
SCHEMBL16480418 0.82 HTR7 (0.43) KMT2ATDP1LMNAMAPK1HTT
SCHEMBL9107363 0.81 TSHR (0.42) KMT2ATDP1HDAC1HDAC8HDAC6
SCHEMBL9107374 0.81 TSHR (0.42) KMT2ATDP1HDAC1HDAC8HDAC6
SCHEMBL13285326 0.81 TSHR (0.45) TDP1HDAC1HDAC8HDAC6TSHR
SCHEMBL9108825 0.81 P2RX7 (0.47) TDP1HDAC1HDAC8HDAC6TSHR

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 KMT2A 3551/4885TDP1 4464/4885LMNA 4696/4885

“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.