SCHEMBL518633

SCHEMBL518633

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HTR2B P41595 1/20 0.53
MAPK14 Q16539 1/20 0.53
SCD O00767 5/20 0.48
MGLL Q99685 2/20 0.47
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
P2RX7 Q99572 1/20 0.45
GBA1 P04062 1/20 0.45
DCTPP1 Q9H773 1/20 0.44
CCR5 P51681 1/20 0.44
HSD11B1 P28845 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43

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
SCHEMBL4262448 0.84 CYP2C9 (0.63) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL1921758 0.84 CYP2C9 (0.49) CYP2C9CYP2C19HTR2BMAPK14SCD
Trifluoroacetic Acid SCHEMBL518486 0.82 CYP2C9 (0.48) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL7934516 0.81 NPY2R (0.46) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL2296174 0.80 SCD (0.55) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL1922734 0.79 SCD (0.48) SCDLMNAP2RX7GBA1DCTPP1
SCHEMBL517077 0.79 SCD (0.53) SCDDCTPP1
SCHEMBL3402769 0.79 SCD (0.52) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL16319144 0.78 NPY2R (0.44) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL1922946 0.78 SCD (0.47) SCDLMNAP2RX7GBA1DCTPP1

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-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

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 CYP2C9 692/4885CYP2C19 566/4885HTR2B 2977/4885

“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.