SCHEMBL8738091

SCHEMBL8738091

CCOc1nc(C(C)C)ccc1-n1cnc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.33
PDE1A P54750 5/20 0.33
PDE1B Q01064 5/20 0.33
PDE1C Q14123 5/20 0.33
CRHR1 P34998 2/20 0.32
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30

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
SCHEMBL8737484 0.83 LMNA (0.36) LMNAPDE1APDE1BPDE1CPSEN1
SCHEMBL13057230 0.76 PSEN1 (0.46) KCNH2PDE1APDE1BPDE1CPSEN1
SCHEMBL6124260 0.73 TSHR (0.44) LMNACRHR1PSEN1PSEN2APH1B
SCHEMBL6127801 0.69 KDM4E (0.47) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL23288646 0.68 KCNH2 (0.34) KCNH2PDE1APDE1BPDE1C
SCHEMBL23244929 0.66 KCNH2 (0.39) KCNH2
SCHEMBL15290433 0.66 PSEN1 (0.38) KCNH2PSEN1PSEN2APH1BNCSTN
SCHEMBL6124263 0.66 PCSK9 (0.31)
SCHEMBL16202004 0.64 NQO1 (0.48) LMNA
SCHEMBL12257634 0.64 PSEN1 (0.40) KCNH2LMNAPSEN1PSEN2APH1B

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-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 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 (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-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 KCNH2 4062/4885LMNA 652/4885PDE1A 313/4885

“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.