SCHEMBL9892338

SCHEMBL9892338

CC(C)(C)C(=O)NCCC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.58
SIGMAR1 Q99720 3/20 0.48
BCHE P06276 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
LDLR P01130 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL14176736 0.90 EPHX1 (0.44) EPHX1SIGMAR1NPC1RAB9AL3MBTL1
SCHEMBL629852 0.82 EPHX1 (0.56) EPHX1SIGMAR1BCHENPC1RAB9A
SCHEMBL931424 0.82 EPHX1 (0.59) EPHX1SIGMAR1BCHENPC1RAB9A
SCHEMBL1709299 0.82 EPHX1 (0.57) EPHX1NPC1RAB9APREPFAP
SCHEMBL19652077 0.82 EPHX1 (0.57) EPHX1NPC1RAB9APREPFAP
SCHEMBL8392277 0.82 EPHX1 (0.59) EPHX1SIGMAR1BCHENPC1RAB9A
SCHEMBL7776480 0.81 EPHX1 (0.75) EPHX1SIGMAR1BCHENPC1RAB9A
SCHEMBL16011477 0.81 ITGB3 (0.46) EPHX1SIGMAR1
SCHEMBL15248911 0.81 NAMPT (0.40) EPHX1POLB
SCHEMBL5113679 0.79 EPHX1 (0.45) EPHX1SIGMAR1HPGDPREPFAP

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

“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.