SCHEMBL4493245

SCHEMBL4493245

CC(C(=O)O)[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2Cl)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ FFAR1 O14842 6/20 0.40
▸ PSEN1 P49768 2/20 0.40
▸ PSEN2 P49810 2/20 0.40
▸ APH1B Q8WW43 2/20 0.40
▸ NCSTN Q92542 2/20 0.40
▸ APH1A Q96BI3 2/20 0.40
▸ PSENEN Q9NZ42 2/20 0.40
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ APP P05067 1/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.37
▸ CRHR1 P34998 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ SCN1A P35498 1/20 0.35
▸ SCN4A P35499 1/20 0.35

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
SCHEMBL4493243 1.00 SLC6A2 (0.41) SLC6A2SLC6A4FFAR1PSEN1PSEN2
SCHEMBL4495674 0.88 PSEN1 (0.38) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4495671 0.88 PSEN1 (0.38) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4516117 0.86 PSEN1 (0.42) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4504179 0.86 PSEN1 (0.42) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL4512703 0.85 KCNH2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4512700 0.85 KCNH2 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4506400 0.84 KDM4E (0.45) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL2857602 0.82 PSEN1 (0.51) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL13604372 0.82 PSEN1 (0.51) FFAR1PSEN1PSEN2APH1BNCSTN

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 SLC6A2 793/4885SLC6A4 1093/4885FFAR1 1996/4885

“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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