SCHEMBL9103377

SCHEMBL9103377

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CNR2 P34972 6/20 0.37
P2RX7 Q99572 2/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL9103390 1.00 PHGDH (0.41) PHGDHSMN1; SMN2PTGER3PTGER2TDP1
SCHEMBL9893100 0.84 PHGDH (0.37) PHGDHPTGER3PTGER2TDP1CNR2
SCHEMBL16480399 0.83 CCNA2 (0.40) SMN1; SMN2PTGER3PTGER2TDP1ALDH1A1
SCHEMBL2572517 0.83 HDAC6 (0.39) PHGDHPTGER3PTGER2TDP1CNR2
SCHEMBL9106214 0.83 HDAC6 (0.39) PHGDHPTGER3PTGER2TDP1CNR2
SCHEMBL9108218 0.82 LMNA (0.40) PHGDHSMN1; SMN2PTGER3PTGER2TDP1
SCHEMBL9108207 0.82 LMNA (0.40) PHGDHSMN1; SMN2PTGER3PTGER2TDP1
SCHEMBL9893020 0.80 PTGER2 (0.42) SMN1; SMN2PTGER3PTGER2ALDH1A1MAPT
SCHEMBL9891744 0.80 SMN1; SMN2 (0.38) SMN1; SMN2PTGER3PTGER2CNR2CYP2C8
SCHEMBL9108668 0.80 KMT2A (0.51) PHGDHPTGER3PTGER2TDP1CNR2

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 3135/4885SMN1; SMN2 4659/4885PTGER3 200/4885

“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.