SCHEMBL9891904

SCHEMBL9891904

CC(Cc1ccc(Cl)cc1)NC(=O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.61
FPR2 P25090 1/20 0.55
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CTSC P53634 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9893002 0.84 ACACB (0.82) ACACB
SCHEMBL8384249 0.83 ACACB (0.56) ACACBNPC1RAB9AKMT2A
SCHEMBL7905560 0.83 ACACB (0.56) ACACBNPC1RAB9AKMT2A
SCHEMBL7904546 0.83 ACACB (0.56) ACACBNPC1RAB9AKMT2A
SCHEMBL5953417 0.82 NPC1 (0.73) ACACBNPC1RAB9AMEN1KMT2A
SCHEMBL18403615 0.82 NPC1 (0.73) ACACBNPC1RAB9AMEN1KMT2A
SCHEMBL12204064 0.80 ACACB (0.58) ACACBFPR2NPC1RAB9ASLC6A2
SCHEMBL10187714 0.80 ACACB (0.76) ACACB
SCHEMBL7911716 0.79 ACACB (0.59) ACACBFPR2NPC1RAB9ASLC6A2
SCHEMBL12204087 0.79 ACACB (0.57) ACACBFPR2NPC1RAB9ASLC6A2

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
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 ACACB 1735/4885FPR2 203/4885NPC1 1904/4885

“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.