SCHEMBL8268289

SCHEMBL8268289

COC(=O)C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(Cc2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.44
▸ PSEN1 P49768 5/20 0.42
▸ PSEN2 P49810 5/20 0.42
▸ APH1B Q8WW43 5/20 0.42
▸ NCSTN Q92542 5/20 0.42
▸ APH1A Q96BI3 5/20 0.42
▸ PSENEN Q9NZ42 5/20 0.42
▸ KDM4E B2RXH2 5/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP3A4 P08684 5/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL8270047 0.95 NR1H2 (0.46) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL2853120 0.86 PSEN1 (0.52) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL15642803 0.86 PSEN1 (0.52) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL766090 0.86 PSEN1 (0.52) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL13513843 0.86 FFAR1 (0.39) RORCPSEN1PSEN2APH1BNCSTN
SCHEMBL8267602 0.84 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29087755 0.82 KDM4E (0.43) RORCKDM4EMAPTALDH1A1POLB
SCHEMBL29617620 0.82 KDM4E (0.43) RORCKDM4EMAPTALDH1A1POLB
SCHEMBL2860479 0.82 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2860484 0.82 PSEN1 (0.50) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 — — EP disclosed
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 — — US disclosed
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
US-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease MERCK SHARP & DOHME LTD. (GB) 2008-01-24 — — US disclosed
WO-2006043064-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2006-04-27 — — WO 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 RORC 3843/4885PSEN1 1/4885PSEN2 2/4885

“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.

Send feedback