SCHEMBL7047426

SCHEMBL7047426

CC1(C)CC(Oc2ccc(N)cc2)CC(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
APP P05067 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 5/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 8/20 0.39
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TEAD4 Q15561 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
IDH1 O75874 2/20 0.34
MAOA P21397 2/20 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
SCHEMBL17706520 0.85 CYP1A2 (0.43) CYP3A4APPCYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7045393 0.81 APP (0.39) CYP3A4APPCYP1A2CYP2D6CYP2C9
SCHEMBL6552747 0.78 EPHX2 (0.45) CYP3A4APPCYP1A2CYP2D6CYP2C9
SCHEMBL31224837 0.76 TDP1 (0.41) CYP3A4TDP1MAPK1ALDH1A1TSHR
SCHEMBL8314928 0.72 TDP1 (0.50) CYP3A4TDP1MAPK1ALDH1A1TSHR
SCHEMBL6903727 0.72 TDP1 (0.50) CYP3A4TDP1MAPK1ALDH1A1TSHR
SCHEMBL10187265 0.69 PARP10 (0.60) CYP3A4TDP1MAPK1ALDH1A1TSHR
SCHEMBL747626 0.69 PARP10 (0.55) CYP3A4TDP1MAPK1ALDH1A1TSHR
SCHEMBL9828741 0.68 ALDH1A1 (0.41) CYP3A4TDP1MAPK1ALDH1A1TSHR
SCHEMBL11045759 0.68 ALDH1A1 (0.41) CYP3A4APPTDP1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase AVENTIS PHARMA DEUTSCHLAND GMBH 2003-12-25 US disclosed
US-6596742-B1 Inhibitory effect on the hormone-sensitive lipase, HSL. insecticides, controlling metabolism and multistage synthesis AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-07-22 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 (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-20030236288-A1 Use of substituted 3-phenyl-5-alkoxy-3H-(1,3,4)-oxadizol-2-ones for inhibiting pancreatic lipase PNLIP, CEL, LIPE CYP3A4 605/4885APP 3963/4885CYP1A2 404/4885

“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.