SCHEMBL10059090

SCHEMBL10059090

COC(=O)C[C@@H]1C(=O)CCN(C(=O)OCc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
HTT P42858 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
TACR1 P25103 3/20 0.40
RORC P51449 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MTNR1B P49286 1/20 0.39

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
SCHEMBL1037910 1.00 TSHR (0.44) TSHRGPBAR1HTTPDK1PDK2
SCHEMBL8196277 1.00 TSHR (0.44) TSHRGPBAR1HTTPDK1PDK2
SCHEMBL2711844 0.85 TRPM8 (0.38) TACR1MTNR1B
SCHEMBL2882312 0.85 TRPM8 (0.38) TACR1MTNR1B
SCHEMBL1041961 0.81 PSEN1 (0.47) TSHRGPBAR1HTTPDK1PDK2
SCHEMBL8195472 0.81 PSEN1 (0.47) TSHRGPBAR1HTTPDK1PDK2
SCHEMBL8152472 0.79 TSHR (0.42) TSHRGPBAR1HTTPDK1PDK2
SCHEMBL1040736 0.79 TSHR (0.42) TSHRGPBAR1HTTPDK1PDK2
SCHEMBL8204203 0.79 TSHR (0.42) TSHRGPBAR1HTTPDK1PDK2
SCHEMBL8158856 0.76 ELANE (0.39) HTTPDK1PDK2PDK3PDK4

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
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
EP-2007724-B1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2012-05-02 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
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
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 (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 TSHR 4612/4885GPBAR1 873/4885HTT 212/4885
US-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES PSEN1, PSEN2, SRM TSHR 2574/4885GPBAR1 848/4885HTT 497/4885
US-20090186919-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, PSEN2 TSHR 4323/4885GPBAR1 1053/4885HTT 437/4885
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 TSHR 4299/4885GPBAR1 714/4885HTT 552/4885

“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.