SCHEMBL2568434

SCHEMBL2568434

CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)Nc1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C19 P33261 1/20 0.57
ABL1 P00519 4/20 0.47
BCR P11274 4/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EPHX2 P34913 5/20 0.43
NPC1 O15118 2/20 0.43
HDAC8 Q9BY41 2/20 0.41
RAB9A P51151 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40

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
SCHEMBL28401049 0.87 ABL1 (0.60) POLBCYP1A2CYP3A4CYP2C19ABL1
SCHEMBL31122514 0.85 POLB (0.58) POLBCYP1A2CYP3A4CYP2C19ABL1
SCHEMBL9892925 0.85 NPC1 (0.55) CYP1A2CYP3A4CYP2C19ABL1BCR
SCHEMBL16238432 0.82 NPC1 (0.60) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL13257804 0.82 NPC1 (0.60) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL7722205 0.81 NPC1 (0.62) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7722207 0.81 NPC1 (0.62) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL7728630 0.81 NPC1 (0.62) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL30129963 0.80 MEN1 (0.67) POLBCYP1A2CYP3A4CYP2C19ABL1
SCHEMBL1375463 0.80 CYP3A4 (0.57) POLBCYP1A2CYP3A4CYP2C19MEN1

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 7 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
EP-2384320-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-11-09 EP disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO 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 POLB 2879/4885CYP1A2 1529/4885CYP3A4 1707/4885

“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.