SCHEMBL8093604

SCHEMBL8093604

CC(C)(C)OC(=O)N1CC2=C(C1)CN(c1ncc(C(=O)NCCCc3ccccc3)s1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.54
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ACKR3 P25106 2/20 0.42
NR1H2 P55055 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL3408635 0.90 NAMPT (0.50) NAMPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL2298576 0.87 NAMPT (0.61) NAMPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL8098134 0.83 NAMPT (0.49) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL2297912 0.81 NAMPT (0.58) NAMPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL2297342 0.81 SCD (0.55) NAMPT
SCHEMBL8099589 0.79 SCD (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8093277 0.78 NAMPT (0.47) NAMPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL2295194 0.78 NAMPT (0.47) NAMPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL2294218 0.77 NAMPT (0.51) NAMPTNPC1RAB9ASMN1; SMN2USP2
SCHEMBL8083829 0.74 OGA (0.44) SMN1; SMN2LMNATP53POLBMAPT

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-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SANOFI-AVENTIS (FR) 2011-10-06 US disclosed
US-8003677-B2 2-heteroaryl-pyrrolo[3,4-c]pyrrole derivatives and their use as SCD inhibitors SANOFI-AVENTIS (FR) 2011-08-23 US disclosed
US-8003677-B2 2-heteroaryl-pyrrolo[3,4-c]pyrrole derivatives and their use as SCD inhibitors SANOFI-AVENTIS (FR) 2011-08-23 US disclosed
US-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
US-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
WO-2008135141-A1 2 -HETEROARYL- PYRROLO [3, 4-C] PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2008-11-13 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 (2 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-20100144594-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SCD, SCD5, PYCR1 NAMPT 1406/4885NPC1 108/4885RAB9A 2481/4885
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SCD, SCD5, PYCR1 NAMPT 1694/4885NPC1 175/4885RAB9A 2658/4885

“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.