SCHEMBL3088534

SCHEMBL3088534

O=C(NCCc1ccncc1)c1ccc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.58
DCTPP1 Q9H773 1/20 0.58
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL3086297 0.91 SCD (0.56) SCDDCTPP1CYP3A4CYP2D6
SCHEMBL3097878 0.88 SCD (0.53) SCDDCTPP1CYP3A4CYP2D6
SCHEMBL1815448 0.87 SCD (0.68) SCD
SCHEMBL4252657 0.84 SCD (0.62) SCDCYP3A4CYP2D6
SCHEMBL3086437 0.84 SCD (0.53) SCDDCTPP1
SCHEMBL3097781 0.84 SCD (0.57) SCDCYP3A4CYP2D6
SCHEMBL3103939 0.83 SCD (0.61) SCDCYP3A4CYP2D6
SCHEMBL3092596 0.83 SCD (0.53) SCD
SCHEMBL3094322 0.81 SCD (0.57) SCDCYP3A4CYP2D6
SCHEMBL3086714 0.81 SCD (0.53) SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20090088431-A1 Heteroaromatic Compounds as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase SCD, SCD5, SREBF1 SCD 1/4885DCTPP1 3017/4885CYP3A4 666/4885

“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.