SCHEMBL3604386

SCHEMBL3604386

O=C(O)Cc1cncc(-c2ccc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nc2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.58
DGAT1 O75907 1/20 0.55
RBP4 P02753 1/20 0.48
TTR P02766 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL3611686 0.88 SCD (0.72) SCD
SCHEMBL3608227 0.88 SCD (0.72) SCDRBP4TTR
SCHEMBL3595150 0.87 SCD (0.60) SCDDGAT1
SCHEMBL3596377 0.83 SCD (0.57) SCDRBP4TTR
SCHEMBL13547451 0.83 SCD (0.60) SCDCYP3A4CYP2D6
SCHEMBL13547456 0.80 SCD (0.68) SCDRBP4TTRCYP3A4CYP2D6
SCHEMBL13547464 0.79 SCD (0.59) SCDRBP4TTRCYP3A4CYP2D6
SCHEMBL3611432 0.79 SCD (0.69) SCDRBP4TTRCYP3A4CYP2D6
SCHEMBL3613970 0.79 SCD (0.74) SCDRBP4TTR
SCHEMBL1817451 0.79 SCD (0.71) SCDRBP4TTRCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 SCD 1/4885DGAT1 23/4885RBP4 557/4885

“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.