SCHEMBL6737464

SCHEMBL6737464

O=C(O)Cn1nnc(-c2nnc(N3CCC4(C=C(c5ccc(OC(F)(F)F)cc5)c5ccccc5O4)CC3)s2)n1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCD O00767 19/20 0.63

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
SCHEMBL6737763 0.94 SCD (0.60) SCD
SCHEMBL6784124 0.92 SCD (0.68) SCD
SCHEMBL14723893 0.92 SCD (0.64) SCD
SCHEMBL3706923 0.91 SCD (0.66) SCD
SCHEMBL6736518 0.90 SCD (0.63) SCD
SCHEMBL3696320 0.90 SCD (0.63) SCD
SCHEMBL3697648 0.90 SCD (0.66) SCD
SCHEMBL6783363 0.90 SCD (0.66) SCD
SCHEMBL3703768 0.87 SCD (0.48) SCD
SCHEMBL3703766 0.87 SCD (0.48) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383643-B2 Spiro compounds useful as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK CANADA INC. (CA) 2013-02-26 US disclosed
US-8383643-B2 Spiro compounds useful as inhibitors of stearoyl-coenzyme A delta-9 desaturase MERCK CANADA INC. (CA) 2013-02-26 US disclosed
US-20120122912-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2012-05-17 US disclosed
US-20120122912-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2012-05-17 US disclosed
WO-2011011872-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-02-03 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-20120122912-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 SCD 1/4885

“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.