SCHEMBL12836765

SCHEMBL12836765

O=C(NCCC1CC1)c1cnnc(N2CCN(c3ncccc3C(F)(F)F)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.51
GAA P10253 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD11B1 P28845 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RBP4 P02753 1/20 0.44
TRPV1 Q8NER1 3/20 0.44

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
SCHEMBL14553043 0.87 SCD (0.42) SCDTRPV1
SCHEMBL992405 0.84 SCD (0.70) SCD
SCHEMBL15190370 0.79 SCD (0.51) SCDGAAALDH1A1MAPTMAPK1
SCHEMBL3666246 0.72 SCD (0.77) SCD
SCHEMBL1819943 0.70 SCD (0.54) SCDALDH1A1MAPTNPC1RAB9A
SCHEMBL3670032 0.68 SCD (0.74) SCD
SCHEMBL995031 0.68 HSD11B1 (0.59) SCDGAAALDH1A1MAPTMAPK1
SCHEMBL3667618 0.68 SCD (0.54) SCDALDH1A1KMT2A
SCHEMBL1378991 0.67 SCD (1.00) SCD
SCHEMBL1600528 0.67 SCD (0.71) 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-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

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-20130012709-A1 NOVEL INHIBITORS OF STEAROYL-CoA-DESATURASE-1 AND THEIR USES SCD, SCD5, FADS2 SCD 1/4885GAA 1368/4885ALDH1A1 711/4885

“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.