SCHEMBL3079906

SCHEMBL3079906

CC(C)CCNC(=O)c1ccc(N2CCC(Cc3ccccc3)C2)nn1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.54
DCTPP1 Q9H773 4/20 0.51
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48

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
SCHEMBL3104029 0.90 SCD (0.52) SCDDCTPP1
SCHEMBL3093624 0.87 SCD (0.57) SCDDCTPP1
SCHEMBL3084519 0.85 SCD (0.53) SCDDCTPP1
SCHEMBL1816387 0.83 SCD (0.54) SCDDCTPP1
SCHEMBL3097745 0.81 SCD (0.69) SCD
SCHEMBL3086367 0.81 SCD (0.52) SCD
SCHEMBL1811939 0.80 SCD (0.57) SCDDCTPP1
SCHEMBL3086094 0.79 SCD (0.55) SCDDCTPP1
SCHEMBL27725803 0.77 SCD (0.66) SCDDCTPP1
SCHEMBL14514970 0.77 CCR3 (0.44) SLC6A2SLC6A4

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
US-20130012709-A1 NOVEL INHIBITORS OF STEAROYL-CoA-DESATURASE-1 AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-10 US disclosed
US-20130012709-A1 NOVEL INHIBITORS OF STEAROYL-CoA-DESATURASE-1 AND THEIR USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-10 US disclosed
WO-2011030312-A1 NOVEL INHIBITORS OF STEAROYL-CoA-DESATURASE-1 AND THEIR USES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-03-17 WO disclosed
US-7799787-B2 Heteroaromatic compounds as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-09-21 US disclosed
US-7799787-B2 Heteroaromatic compounds as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-09-21 US disclosed
US-7799787-B2 Heteroaromatic compounds as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA LTD. (CA) 2010-09-21 US disclosed
US-20090088431-A1 Heteroaromatic Compounds as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. 2009-04-02 US disclosed
US-20090088431-A1 Heteroaromatic Compounds as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. 2009-04-02 US disclosed
US-20090088431-A1 Heteroaromatic Compounds as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase MERCK FROSST CANADA LTD. 2009-04-02 US disclosed
WO-2007071023-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2007-06-28 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 (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-20130012709-A1 NOVEL INHIBITORS OF STEAROYL-CoA-DESATURASE-1 AND THEIR USES SCD, SCD5, FADS2 SCD 1/4885DCTPP1 1615/4885SLC6A2 4324/4885
US-20090088431-A1 Heteroaromatic Compounds as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, SREBF1 SCD 1/4885DCTPP1 3017/4885SLC6A2 4429/4885

“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.