SCHEMBL3541017

SCHEMBL3541017

Nc1ccc([C@H]2CC[C@H](CNC(=O)O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ESR2 Q92731 2/20 0.40
ESR1 P03372 1/20 0.40
CYP3A4 P08684 1/20 0.40
DGAT1 O75907 6/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.38
VCP P55072 1/20 0.38
FAAH O00519 1/20 0.38
CHRM2 P08172 1/20 0.38
SOAT1 P35610 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
PDE10A Q9Y233 1/20 0.38
IDO1 P14902 1/20 0.38
NPC1 O15118 2/20 0.38

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
SCHEMBL3541019 1.00 CYP2D6 (0.45) CYP2D6ALDH1A1LMNAMAPTCYP2C9
SCHEMBL3546424 0.79 KDM4E (0.47) CYP2D6ALDH1A1LMNAMAPTDGAT1
SCHEMBL13009670 0.79 DRD2 (0.49) ALDH1A1LMNAMAPTCYP2C9
SCHEMBL3546428 0.79 KDM4E (0.47) CYP2D6ALDH1A1LMNAMAPTDGAT1
SCHEMBL3537767 0.79 DGAT1 (0.56) DGAT1FAAHCHRM2SOAT1DGAT2
SCHEMBL3537768 0.79 DGAT1 (0.56) DGAT1FAAHCHRM2SOAT1DGAT2
SCHEMBL26185846 0.78 PARP15 (0.54) CYP2D6ALDH1A1LMNA
SCHEMBL21766647 0.76 TDP1 (0.61) ALDH1A1LMNAMAPTCYP2C9TDP1
SCHEMBL28995515 0.76 DGAT1 (0.54) ALDH1A1LMNAMAPTCYP2C9ESR2
SCHEMBL3123610 0.76 GFER (0.45) CYP2D6ALDH1A1LMNAMAPTTDP1

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 3 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 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 CYP2D6 212/4885ALDH1A1 314/4885LMNA 3296/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 CYP2D6 242/4885ALDH1A1 303/4885LMNA 3477/4885

“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.