SCHEMBL3498586

SCHEMBL3498586

COC(=O)CC1C(=O)CCN(C(=O)O)C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.38
TACR1 P25103 2/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MTNR1B P49286 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
SCHEMBL2882312 1.00 TRPM8 (0.38) TRPM8TACR1PSEN1PSEN2APH1B
SCHEMBL2711844 1.00 TRPM8 (0.38) TRPM8TACR1PSEN1PSEN2APH1B
SCHEMBL10059090 0.85 TSHR (0.44) TACR1MTNR1B
SCHEMBL1037910 0.85 TSHR (0.44) TACR1MTNR1B
SCHEMBL8196277 0.85 TSHR (0.44) TACR1MTNR1B
SCHEMBL3580847 0.79 TACR1 (0.44) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL3498597 0.75 NOD2 (0.38) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL2713349 0.75 NOD2 (0.38) TACR1PSEN1PSEN2APH1BNCSTN
SCHEMBL1709471 0.69 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL1709470 0.68 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 US disclosed
US-20090186919-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2009-07-23 US disclosed
EP-2013171-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE Merck Sharp & Dohme Limited (GB) 2009-01-14 EP disclosed
EP-2007724-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE Merck Sharp & Dohme Limited (GB) 2008-12-31 EP 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-2007125364-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-11-08 WO disclosed
WO-2007116228-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-10-18 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 (4 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 TRPM8 2324/4885TACR1 380/4885PSEN1 1/4885
US-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES PSEN1, PSEN2, SRM TRPM8 3487/4885TACR1 32/4885PSEN1 1/4885
US-20090186919-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, PSEN2 TRPM8 2239/4885TACR1 1010/4885PSEN1 2/4885
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 TRPM8 1724/4885TACR1 316/4885PSEN1 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.