SCHEMBL517909

SCHEMBL517909

O=C(c1ccccc1C(F)(F)F)N1CC2=C(C1)CN(c1ccc(OCc3ccccc3)cn1)C2

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.51
DCTPP1 Q9H773 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
MAPK14 Q16539 1/20 0.44
P4HTM Q9NXG6 1/20 0.41
SLC6A7 Q99884 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL15516383 0.96 SCD (0.48) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL517783 0.85 SCD (0.52) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1922734 0.84 SCD (0.48) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL2296174 0.82 SCD (0.55) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL15519787 0.81 SCD (0.47) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL1922946 0.81 SCD (0.47) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL15579416 0.81 SCD (0.48) SCDCYP2C9CYP2C19KDM4ELMNA
Acetic Acid SCHEMBL518323 0.79 SCD (0.47) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL2299343 0.79 SCD (0.81) SCDDCTPP1KDM4ELMNASMN1; SMN2
SCHEMBL7936680 0.78 SCD (0.53) SCDDCTPP1CYP2C9CYP2C19HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2328898-B1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD INHIBITORS SANOFI SA (FR) 2014-12-24 EP 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-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
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
EP-2328898-A1 2-HETEROARYL-PYRROLO [3, 4-C]PYRROLE DERIVATIVES AND THE USE THEREOF AS SCD INHIBITORS Sanofi-aventis (FR) 2011-06-08 EP 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
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 SCD 1/4885DCTPP1 1982/4885CYP2C9 692/4885

“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.