SCHEMBL9891794

SCHEMBL9891794

CC(C)C(=O)NCCC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.60
BCHE P06276 3/20 0.57
EPHX1 P07099 1/20 0.54
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
REN P00797 1/20 0.42
NMT1 P30419 5/20 0.41
NMT2 O60551 4/20 0.41
METAP2 P50579 1/20 0.41
DPP4 P27487 1/20 0.41
PREP P48147 1/20 0.41
FAP Q12884 1/20 0.41
HPGD P15428 1/20 0.41
NQO2 P16083 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL24276406 0.98 SIGMAR1 (0.57) SIGMAR1BCHEEPHX1NPC1RAB9A
SCHEMBL11090 0.90 SIGMAR1 (0.49) SIGMAR1BCHEEPHX1NPC1RAB9A
SCHEMBL28580462 0.89 BCHE (0.51) SIGMAR1BCHEEPHX1RENNMT1
SCHEMBL942700 0.86 SIGMAR1 (0.57) SIGMAR1BCHEEPHX1NPC1RAB9A
SCHEMBL12413657 0.82 SIGMAR1 (0.57) SIGMAR1BCHEEPHX1NQO2MTNR1A
SCHEMBL9891910 0.82 SIGMAR1 (0.43) SIGMAR1BCHEEPHX1DPP4PREP
SCHEMBL19652274 0.81 EPHX1 (0.55) EPHX1NPC1RAB9AL3MBTL1DPP4
SCHEMBL13581 0.81 EPHX1 (0.55) EPHX1NPC1RAB9AL3MBTL1DPP4
SCHEMBL14503312 0.80 EPHX1 (0.62) SIGMAR1BCHEEPHX1NPC1RAB9A
SCHEMBL12026402 0.79 EPHX1 (0.52) EPHX1NPC1RAB9AL3MBTL1DPP4

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 2 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

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 SIGMAR1 212/4885BCHE 3324/4885EPHX1 1834/4885

“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.