SCHEMBL2294470

SCHEMBL2294470

O=C(NCCC1CC1)c1cnc(N2CC3=C(CNC3)C2)nc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.45
HDAC6 Q9UBN7 6/20 0.43
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
EGLN1 Q9GZT9 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
SCHEMBL2296758 0.75 SCD (0.56) CHRM4
SCHEMBL3404141 0.73 POLB (0.53) HDAC6
SCHEMBL1816801 0.68 NPC1 (0.59) EGLN1
SCHEMBL2290030 0.66 HDAC3 (0.46) HDAC6ITGB3ITGA2BEGLN1
SCHEMBL12017926 0.65 EGLN1 (0.45) CHRM4ITGB3ITGA2BEGLN1
SCHEMBL26668519 0.65 ITGB3 (0.67) ITGB3ITGA2B
SCHEMBL8393574 0.64 ACHE (0.69) CHRM4ITGB3ITGA2B
SCHEMBL7453247 0.63 KDM4E (0.59) CHRM4HDAC6
SCHEMBL4924387 0.62 CYP1A2 (0.60)
SCHEMBL4633308 0.62 ITGB3 (0.74) ITGB3ITGA2B

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 3 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-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

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 CHRM4 3959/4885HDAC6 4669/4885ITGB3 2005/4885
US-20110245263-A1 2-HETEROARYL-PYRROLO[3,4-C]PYRROLE DERIVATIVES AND THEIR USE AS SCD SCD, SCD5, PYCR1 CHRM4 3498/4885HDAC6 4638/4885ITGB3 1246/4885

“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.