SCHEMBL3545763

SCHEMBL3545763

COC(=O)CC1(c2[c]nccc2)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 5/20 0.33
P2RX7 Q99572 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 1/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
CASP1 P29466 1/20 0.32
HSD11B1 P28845 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3548548 0.83 HSD11B1 (0.47) ALDH1A1TSHRGAAHPGDHSD11B1
SCHEMBL3548276 0.78 ALDH1A1 (0.36) ALDH1A1P2RX7MEN1KMT2ACTSK
SCHEMBL12079685 0.71 CYP19A1 (0.33) CYP19A1GAA
SCHEMBL3548281 0.71 HSD11B1 (0.44) ALDH1A1P2RX7MEN1KMT2ATSHR
SCHEMBL15416268 0.70 AKR1C1 (0.47) ALDH1A1MEN1KMT2ATSHRHSD11B1
SCHEMBL22758568 0.68 HDAC4 (0.48) ALDH1A1P2RX7MEN1KMT2A
SCHEMBL2505252 0.68 SLC6A4 (0.49) ALDH1A1
SCHEMBL2066015 0.67 ALDH1A1 (0.33) ALDH1A1GAA
SCHEMBL12194424 0.67 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL1234999 0.66 CYP4F2 (0.39) ALDH1A1KMT2AGAAHPGDL3MBTL1

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 5 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-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

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 CYP19A1 489/4885ALDH1A1 314/4885P2RX7 3711/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 CYP19A1 494/4885ALDH1A1 303/4885P2RX7 3748/4885

“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.