SCHEMBL9965883

SCHEMBL9965883

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2C P28335 2/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
P2RY14 Q15391 1/20 0.36

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
SCHEMBL1039190 1.00 KDM4E (0.42) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL8209905 1.00 KDM4E (0.42) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL8267837 0.89 S1PR4 (0.44) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL13512581 0.86 HTR2C (0.39) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL12957474 0.86 HTR2C (0.39) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL13604396 0.86 GUSB (0.43) ALDH1A1POLBGAAHTR2C
SCHEMBL13513699 0.86 HTR2C (0.42) KDM4EALDH1A1POLBTDP1HTR2C
SCHEMBL4493249 0.85 PSEN1 (0.45) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL21820688 0.85 PSEN1 (0.45) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL2861143 0.85 PSEN1 (0.45) HTR2CPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013171-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (GB) 2013-05-15 EP disclosed
US-8420622-B2 Silylated piperidine derivatives Merck, Sharp & Dohme, Corp. (US) 2013-04-16 US disclosed
US-8420622-B2 Silylated piperidine derivatives Merck, Sharp & Dohme, Corp. (US) 2013-04-16 US disclosed
US-8389547-B2 Piperidines and related compounds for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2013-03-05 US disclosed
US-8222418-B2 Piperidines and related compounds for the treatment of dementia Merck Sharp + Dohme Corp. (US) 2012-07-17 US disclosed
EP-2120584-B1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2012-06-20 EP disclosed
US-7985758-B2 Piperidine derivatives for treatment of Alzheimer's disease MERCK, SHARP & DOHME LIMITED (GB) 2011-07-26 US disclosed
US-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-02-25 US disclosed
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-20090239905-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF DEMENTIA MERCK SHARP & DOHME LIMITED (GB) 2009-09-24 US disclosed
US-20090186919-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2009-07-23 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 (5 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 KDM4E 3480/4885ALDH1A1 736/4885POLB 1952/4885
US-20090239905-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF DEMENTIA PSEN1, BACE1, PSEN2 KDM4E 2095/4885ALDH1A1 1571/4885POLB 1989/4885
US-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES PSEN1, PSEN2, SRM KDM4E 2685/4885ALDH1A1 804/4885POLB 1646/4885
US-20090186919-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, PSEN2 KDM4E 2538/4885ALDH1A1 461/4885POLB 704/4885
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 KDM4E 2715/4885ALDH1A1 657/4885POLB 1039/4885

“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.