SCHEMBL3545970

SCHEMBL3545970

N#CCC1(c2cc[c]cc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.38
SLC6A3 Q01959 13/20 0.37
SLC6A4 P31645 12/20 0.37
DPP4 P27487 1/20 0.36
SLC6A2 P23975 6/20 0.36
HSD11B1 P28845 1/20 0.33

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
SCHEMBL2857720 0.83 TSHR (0.55) TSHRHTTHSD17B10SLC6A3SLC6A4
SCHEMBL8315393 0.81 TSHR (0.57) TSHRHTTHSD17B10SLC6A3SLC6A4
SCHEMBL15866823 0.78 OPRM1 (0.40) TSHRHTTHSD17B10SLC6A3SLC6A4
SCHEMBL15863219 0.78 SLC6A3 (0.58) TSHRHTTHSD17B10SLC6A3SLC6A4
SCHEMBL26625368 0.78 ALDH1A1 (0.52) TSHRHTTHSD17B10SLC6A3SLC6A4
SCHEMBL15862653 0.78 ALDH1A1 (0.40) TSHRHTTHSD17B10SLC6A3SLC6A4
SCHEMBL9175401 0.78 SLC6A3 (0.58) TSHRHTTHSD17B10SLC6A3SLC6A4
SCHEMBL21899382 0.77 SLC6A3 (0.42) TSHRHTTSLC6A3SLC6A4DPP4
SCHEMBL3550695 0.77 DPP4 (0.62) SLC6A3SLC6A4DPP4SLC6A2
SCHEMBL8319137 0.77 TSHR (0.53) TSHRHTTHSD17B10SLC6A3SLC6A4

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
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US claimed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US claimed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
CN-101115731-A Oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN 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 (2 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 TSHR 1451/4885HTT 1370/4885HSD17B10 151/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 TSHR 1169/4885HTT 1275/4885HSD17B10 166/4885

“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.