SCHEMBL7934516

SCHEMBL7934516

CC(C)(C)OC(=O)N1CC2=C(C1)CN(C(=O)c1ccccc1C(F)(F)F)C2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.46
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
MAPK14 Q16539 1/20 0.44
POLB P06746 1/20 0.44
SCD O00767 2/20 0.43
MGLL Q99685 1/20 0.42
RORC P51449 1/20 0.42
MAPK1 P28482 1/20 0.41
P2RX7 Q99572 2/20 0.40
NAMPT P43490 1/20 0.40
GBA1 P04062 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
SCHEMBL25933 0.87 POLB (0.58) NPY2RCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL16319144 0.86 NPY2R (0.44) NPY2RCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL518633 0.81 CYP2C9 (0.53) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL2818668 0.79 SPR (0.45) NPY2RCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL938275 0.78 POLB (0.48) NPY2RPOLB
SCHEMBL13261171 0.77 RORC (0.47) CYP2C9CYP2C19HTR2BMAPK14POLB
SCHEMBL1921758 0.77 CYP2C9 (0.49) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL3529473 0.76 POLB (0.55) POLBP2RX7
SCHEMBL3951674 0.75 NFKB1 (0.46) POLBRORCMAPK1
SCHEMBL2292608 0.75 USP2 (0.52) MAPK1NAMPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673917-B2 2-heteroaryl-pyrrolo [3,4-C]pyrrole derivatives, and use thereof as SCD inhibitors SANOFI (FR) 2014-03-18 US disclosed
US-8673917-B2 2-heteroaryl-pyrrolo [3,4-C]pyrrole derivatives, and use thereof as SCD inhibitors SANOFI (FR) 2014-03-18 US disclosed
US-20120028986-A1 2-HETEROARYL-PYRROLO [3,4-C]PYRROLE DERIVATIVES, AND USE THEREOF AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2012-02-02 US disclosed
US-20120028986-A1 2-HETEROARYL-PYRROLO [3,4-C]PYRROLE DERIVATIVES, AND USE THEREOF AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2012-02-02 US disclosed
WO-2010028761-A1 2-HETEROARYL-PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THE USE THEREOF AS SCD INHIBITORS SANOFI-AVENTIS (FR) 2010-03-18 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 (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-20120028986-A1 2-HETEROARYL-PYRROLO [3,4-C]PYRROLE DERIVATIVES, AND USE THEREOF AS SCD INHIBITORS SCD, SCD5, PC NPY2R 507/4885CYP2C9 692/4885CYP2C19 566/4885

“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.