SCHEMBL3828744

SCHEMBL3828744

Fc1ccccc1OC1CCN(c2ccc(I)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DCK P27707 5/20 0.46
RET P07949 1/20 0.46
SCD O00767 2/20 0.42
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3832526 0.85 SCD (0.47) DCKSCDFPR2PROKR1
SCHEMBL3847667 0.82 DCK (0.46) DCKRETSCDCYP3A4CYP2D6
SCHEMBL3826408 0.81 CYP3A4 (0.48) SCDCYP3A4CYP2D6
SCHEMBL14143777 0.80 SCD (0.52) DCKRETSCDCYP3A4CYP2D6
SCHEMBL4731364 0.78 MEN1 (0.45) DCKRETSCD
SCHEMBL3831479 0.78 GRM5 (0.45) DCKRETSCD
SCHEMBL3830322 0.74 CYP3A4 (0.42) SCDCYP3A4CYP2D6
SCHEMBL3828538 0.74 CYP3A4 (0.42) SCDCYP3A4CYP2D6
SCHEMBL14130731 0.74 CYP3A4 (0.42) SCDCYP3A4CYP2D6
SCHEMBL3826352 0.74 RET (0.39) DCKRETSCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101583600-A Acetylene derivatives as stearoyl-CoA desaturase inhibitors GLENMARK PHARMACEUTICALS SA (CH) 2009-11-18 CN disclosed
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA DCK 1641/4885RET 4845/4885SCD 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.