SCHEMBL4549803

SCHEMBL4549803

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.41
CYP2D6 P10635 3/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL3587894 0.85 TACR1 (0.44) TACR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL2712838 0.85 TACR1 (0.44) TACR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL2712836 0.85 TACR1 (0.44) TACR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL1709471 0.77 KDM4E (0.40) LMNAKDM4EALDH1A1POLBGAA
SCHEMBL8195514 0.77 PSEN1 (0.40) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL1709470 0.76 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL31506543 0.75 TACR1 (0.51) TACR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL13604483 0.74 ALDH1A1 (0.47) TACR1CYP2D6TP53CYP1A2CYP3A4
SCHEMBL1039190 0.74 KDM4E (0.42) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL8209905 0.74 KDM4E (0.42) 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 12 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
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-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 TACR1 380/4885CYP2D6 3883/4885TP53 4339/4885
US-20100093665-A1 SILYLATED PIPERIDINE DERIVATIVES PSEN1, PSEN2, SRM TACR1 32/4885CYP2D6 4123/4885TP53 2143/4885
US-20090186919-A1 PIPERIDINE DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, PSEN2 TACR1 1010/4885CYP2D6 3633/4885TP53 3327/4885
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 TACR1 316/4885CYP2D6 2952/4885TP53 4078/4885

“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.