SCHEMBL7733899

SCHEMBL7733899

Cc1cn(-c2cc(C)c(C)cc2C=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EGLN2 Q96KS0 1/20 0.36
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
NR2E1 Q9Y466 2/20 0.34
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33
APH1B Q8WW43 4/20 0.33
NCSTN Q92542 4/20 0.33
APH1A Q96BI3 4/20 0.33
PSENEN Q9NZ42 4/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 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
SCHEMBL10153121 0.78 NR2E1 (0.40) EGLN2CYP2E1CYP2A6NR2E1PSEN1
SCHEMBL9868208 0.77 EGLN2 (0.45) ALDH1A1EGLN2CYP2E1CYP2A6PSEN1
SCHEMBL25343812 0.74 MAOA (0.45) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL20168525 0.74 KCNJ1 (0.39) EGLN2GRIA1GRIA2GRIA3GRIA4
SCHEMBL8032866 0.74 ALDH1A3 (0.50) ALDH1A1EGLN2CYP2A6PSEN1PSEN2
SCHEMBL30444602 0.74 KCNJ1 (0.39) EGLN2GRIA1GRIA2GRIA3GRIA4
SCHEMBL10153120 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL6124667 0.72 MAOA (0.38) EGLN2CYP2E1CYP2A6PSEN1PSEN2
SCHEMBL9700802 0.72 NR2E1 (0.46) GRIA1GRIA2GRIA3GRIA4CYP2E1
SCHEMBL7738305 0.71 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137320-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-06-03 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-20100137320-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP ALDH1A1 1823/4885SMN1; SMN2 1408/4885EGLN2 2709/4885

“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.