SCHEMBL9108249

SCHEMBL9108249

COc1ccc(N2C(=O)CC[C@H]2C(=O)O)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9108258 1.00 IDH1 (0.43) IDH1TDP1HRH3KMT2AALDH1A1
SCHEMBL9107192 0.83 NPC1 (0.44) HRH3KMT2ACNR1CNR2KDM4E
SCHEMBL9107658 0.83 NPC1 (0.44) HRH3KMT2ACNR1CNR2KDM4E
SCHEMBL16480490 0.82 HRH3 (0.40) IDH1TDP1HRH3ALDH1A1L3MBTL1
SCHEMBL9110156 0.80 P2RX7 (0.43) ALDH1A1CNR1CNR2KDM4EMAPT
SCHEMBL2571392 0.80 CNR2 (0.41) IDH1TDP1HRH3ALDH1A1CNR1
SCHEMBL2571390 0.80 CNR2 (0.41) IDH1TDP1HRH3ALDH1A1CNR1
SCHEMBL9105776 0.80 P2RX7 (0.43) ALDH1A1CNR1CNR2KDM4EMAPT
SCHEMBL9107636 0.80 TDP1 (0.59) TDP1KMT2AALDH1A1L3MBTL1CYP1A2
SCHEMBL9107624 0.80 TDP1 (0.59) TDP1KMT2AALDH1A1L3MBTL1CYP1A2

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 IDH1 4245/4885TDP1 4464/4885HRH3 236/4885

“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.