SCHEMBL7936680

SCHEMBL7936680

O=C(c1ccccc1C(F)(F)F)N1CC2=C(C1)CN(c1ccc(OCCc3ccccc3)nn1)C2

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.53
DCTPP1 Q9H773 2/20 0.53
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2B P41595 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL518378 0.97 SCD (0.51) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL517783 0.90 SCD (0.52) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL726265 0.89 SCD (0.67) SCDDCTPP1
SCHEMBL10036775 0.87 SCD (0.53) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL15519787 0.85 SCD (0.47) SCDDCTPP1CYP2C9CYP2C19HTR2B
Trifluoroacetic Acid SCHEMBL518521 0.85 SCD (0.50) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL10036776 0.82 P2RX7 (0.44) SCDDCTPP1HTR2B
SCHEMBL518648 0.81 SCD (0.57) SCDDCTPP1
SCHEMBL7932345 0.80 SCD (0.46) SCDDCTPP1CYP2C9CYP2C19HTR2B
SCHEMBL7933451 0.80 SCD (0.43) SCDDCTPP1

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 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.