SCHEMBL1394196

SCHEMBL1394196

O=C(O)N1CC2CN(c3ccccc3C(F)(F)F)CC2C1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.57
AKR1C3 P42330 1/20 0.49
TTR P02766 1/20 0.47
TRPV1 Q8NER1 5/20 0.44
NOTUM Q6P988 1/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 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
SCHEMBL16124187 0.81 RBP4 (0.57) RBP4AKR1C3TRPV1HCRTR1HCRTR2
SCHEMBL17502962 0.81 RBP4 (0.52) RBP4AKR1C3TTRTRPV1
SCHEMBL1395236 0.81 RBP4 (0.52) RBP4AKR1C3TTRTRPV1
SCHEMBL5239668 0.80 AKR1C3 (0.68) RBP4AKR1C3TTRTRPV1
SCHEMBL17515569 0.79 RBP4 (0.58) RBP4AKR1C3TRPV1HCRTR1HCRTR2
SCHEMBL17515547 0.79 RBP4 (0.69) RBP4TRPV1
SCHEMBL20533587 0.79 RBP4 (0.50) RBP4AKR1C3TTRTRPV1NOTUM
SCHEMBL17515570 0.79 RBP4 (0.65) RBP4HCRTR1HCRTR2
SCHEMBL16124182 0.78 RBP4 (0.56) RBP4AKR1C3TRPV1HCRTR1HCRTR2
SCHEMBL17515571 0.77 RBP4 (0.52) RBP4AKR1C3TRPV1HCRTR1HCRTR2

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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
WO-2010108268-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-09-30 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-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN RBP4 602/4885AKR1C3 517/4885TTR 2860/4885

“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.