SCHEMBL9105812

SCHEMBL9105812

CC(C)c1ccc(N2C(=O)CCC2C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.44
ACE P12821 2/20 0.43
CNR2 P34972 5/20 0.42
P2RX7 Q99572 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PTGER2 P43116 2/20 0.40
PTGER3 P43115 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MGLL Q99685 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
SCHEMBL9105795 1.00 PHGDH (0.53) PHGDHL3MBTL1ACECNR2P2RX7
SCHEMBL9108343 0.85 PHGDH (0.47) PHGDHACECNR2P2RX7PTGER2
SCHEMBL9103263 0.85 PHGDH (0.47) PHGDHACECNR2P2RX7PTGER2
SCHEMBL13285262 0.83 PHGDH (0.43) PHGDHACECNR2P2RX7PTGER2
SCHEMBL9108663 0.83 KMT2A (0.51) PHGDHCNR2RAB9APTGER2PTGER3
SCHEMBL2572997 0.83 CNR2 (0.52) PHGDHCNR2P2RX7PTGER2PTGER3
SCHEMBL2572998 0.83 CNR2 (0.52) PHGDHCNR2P2RX7PTGER2PTGER3
SCHEMBL9108668 0.83 KMT2A (0.51) PHGDHCNR2RAB9APTGER2PTGER3
SCHEMBL13284935 0.81 ESR1 (0.46) PHGDHCNR2P2RX7PTGER2PTGER3
SCHEMBL289664 0.81 P2RX7 (0.51) PHGDHACECNR2P2RX7PTGER2

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 3135/4885L3MBTL1 4514/4885ACE 3990/4885

“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.