SCHEMBL9108946

SCHEMBL9108946

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 2/20 0.52
CNR2 P34972 2/20 0.51
USP30 Q70CQ3 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.46
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 1/20 0.45
EP300 Q09472 2/20 0.44
CREBBP Q92793 2/20 0.44
JAK2 O60674 1/20 0.43
UCHL1 P09936 1/20 0.43
SIRT2 Q8IXJ6 2/20 0.42

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
SCHEMBL9108960 1.00 ALDH1A1 (0.56) ALDH1A1L3MBTL1LMNANPSR1NPC1
SCHEMBL16238702 0.98 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNANPSR1NPC1
SCHEMBL13257797 0.98 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNANPSR1NPC1
SCHEMBL8273963 0.81 HCRTR1 (0.49) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL13257795 0.80 L3MBTL1 (0.68) ALDH1A1L3MBTL1LMNANPSR1NPC1
SCHEMBL16238648 0.80 L3MBTL1 (0.68) ALDH1A1L3MBTL1LMNANPSR1NPC1
SCHEMBL13257793 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNANPSR1NPC1
SCHEMBL16238597 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNANPSR1NPC1
SCHEMBL9891944 0.79 CNR2 (0.56) NPC1CNR2POLBRAB9AEP300
SCHEMBL29640020 0.78 ALDH1A1 (0.70) ALDH1A1L3MBTL1LMNANPSR1NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 3279/4885L3MBTL1 4514/4885LMNA 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.