SCHEMBL3697648

SCHEMBL3697648

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

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SCD O00767 17/20 0.66
OPRD1 P41143 2/20 0.43
KCNH2 Q12809 2/20 0.43

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
SCHEMBL3697646 1.00 SCD (0.66) SCDOPRD1KCNH2
SCHEMBL6783363 0.94 SCD (0.66) SCDOPRD1KCNH2
SCHEMBL3706923 0.94 SCD (0.66) SCDOPRD1KCNH2
SCHEMBL14723893 0.92 SCD (0.64) SCDOPRD1KCNH2
SCHEMBL6737464 0.90 SCD (0.63) SCD
SCHEMBL3708364 0.89 SCD (0.66) SCD
SCHEMBL6737345 0.89 SCD (0.66) SCD
SCHEMBL3708362 0.89 SCD (0.66) SCD
SCHEMBL6737763 0.88 SCD (0.60) SCDOPRD1KCNH2
SCHEMBL3699798 0.88 SCD (0.67) 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 2 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-20120122912-A1 NOVEL SPIRO COMPOUNDS USEFUL AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2012-05-17 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 (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 1/4885OPRD1 784/4885KCNH2 4330/4885

“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.