SCHEMBL9103589

SCHEMBL9103589

CNC(=O)c1ccc(N2C(=O)CC[C@H]2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.47
HDAC6 Q9UBN7 4/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC2 Q92769 1/20 0.45
CNR2 P34972 5/20 0.41
TNKS O95271 2/20 0.40
P2RX7 Q99572 1/20 0.40
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
P2RX3 P56373 1/20 0.39
HDAC1 Q13547 1/20 0.39
CYP2C8 P10632 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
SCHEMBL9103598 1.00 PHGDH (0.47) PHGDHHDAC6HDAC8HDAC2CNR2
SCHEMBL2570464 0.85 MEN1 (0.55) PHGDHHDAC6HDAC8P2RX7MEN1
SCHEMBL2570466 0.85 MEN1 (0.55) PHGDHHDAC6HDAC8P2RX7MEN1
SCHEMBL9108623 0.84 ALDH1A1 (0.46) PHGDHKMT2ATSHRHPGDHTT
SCHEMBL9108626 0.84 ALDH1A1 (0.46) PHGDHKMT2ATSHRHPGDHTT
SCHEMBL16480487 0.84 HDAC2 (0.46) HDAC6HDAC8HDAC2TNKSMEN1
SCHEMBL2573729 0.84 PHGDH (0.45) PHGDHHDAC6HDAC8CNR2P2RX7
SCHEMBL2573730 0.84 PHGDH (0.45) PHGDHHDAC6HDAC8CNR2P2RX7
SCHEMBL9108663 0.82 KMT2A (0.51) PHGDHCNR2PTGER3PTGER2MEN1
SCHEMBL9108668 0.82 KMT2A (0.51) PHGDHCNR2PTGER3PTGER2MEN1

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 3 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
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 PHGDH 3135/4885HDAC6 1750/4885HDAC8 2405/4885

“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.