SCHEMBL9105606

SCHEMBL9105606

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C(F)(F)F)cn1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CNR2 P34972 6/20 0.52
CNR1 P21554 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
USP30 Q70CQ3 1/20 0.52
NPY5R Q15761 1/20 0.50
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
JAK2 O60674 1/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP2C8 P10632 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
UCHL1 P09936 1/20 0.46
DEGS1 O15121 1/20 0.46

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
SCHEMBL9105614 1.00 NPC1 (0.57) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL13257798 0.97 NPC1 (0.53) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL16238382 0.97 NPC1 (0.53) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL31188377 0.85 USP30 (0.60) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL3834612 0.85 USP30 (0.60) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL15972262 0.85 NPC1 (0.59) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL17387921 0.85 NPC1 (0.59) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL12567215 0.85 USP30 (0.60) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL13379469 0.85 NPC1 (0.59) NPC1LMNANPSR1MEN1KMT2A
SCHEMBL13379461 0.84 NPC1 (0.58) NPC1LMNANPSR1MEN1KMT2A

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 NPC1 1904/4885LMNA 4696/4885NPSR1 31/4885

“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.