SCHEMBL4512700

SCHEMBL4512700

CC(C(=O)O)C1CCN(Cc2ccccc2)C(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.44
▸ SIGMAR1 Q99720 3/20 0.43
▸ PSEN1 P49768 4/20 0.42
▸ PSEN2 P49810 4/20 0.42
▸ APH1B Q8WW43 4/20 0.42
▸ NCSTN Q92542 4/20 0.42
▸ APH1A Q96BI3 4/20 0.42
▸ PSENEN Q9NZ42 4/20 0.42
▸ NR1H2 P55055 2/20 0.42
▸ NR1H3 Q13133 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ EPAS1 Q99814 1/20 0.42
▸ UBE2M P61081 1/20 0.42
▸ DCUN1D1 Q96GG9 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41

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
SCHEMBL4512703 1.00 KCNH2 (0.44) KCNH2SIGMAR1PSEN1PSEN2APH1B
SCHEMBL4517264 0.89 LMNA (0.42) KCNH2SIGMAR1PSEN1PSEN2APH1B
SCHEMBL4517269 0.89 LMNA (0.42) KCNH2SIGMAR1PSEN1PSEN2APH1B
SCHEMBL4506400 0.88 KDM4E (0.45) SIGMAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4493245 0.85 SLC6A2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4493243 0.85 SLC6A2 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4495877 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4504179 0.83 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4516117 0.83 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4495671 0.82 PSEN1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 — — US disclosed
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 — — 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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP KCNH2 1697/4885SIGMAR1 2376/4885PSEN1 1/4885

“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.

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