SCHEMBL3580847

SCHEMBL3580847

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.44
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PSEN1 P49768 3/20 0.40
PSEN2 P49810 3/20 0.40
APH1B Q8WW43 3/20 0.40
NCSTN Q92542 3/20 0.40
APH1A Q96BI3 3/20 0.40
PSENEN Q9NZ42 3/20 0.40
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DPP4 P27487 2/20 0.39
ROCK2 O75116 1/20 0.38

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
SCHEMBL3498586 0.79 TRPM8 (0.38) TACR1KDM4EALDH1A1POLBGAA
SCHEMBL2882312 0.79 TRPM8 (0.38) TACR1KDM4EALDH1A1POLBGAA
SCHEMBL2711844 0.79 TRPM8 (0.38) TACR1KDM4EALDH1A1POLBGAA
SCHEMBL13604437 0.78 TACR1 (0.43) TACR1KDM4EALDH1A1
SCHEMBL1709471 0.74 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL8228432 0.74 PSEN1 (0.62) TACR1KDM4EALDH1A1POLBGAA
SCHEMBL1709470 0.74 KDM4E (0.40) KDM4EALDH1A1POLBGAAMAPK1
SCHEMBL4549803 0.74 TACR1 (0.41) TACR1KDM4EALDH1A1POLBGAA
SCHEMBL17142310 0.73 RIPK1 (0.51) KCNH2HRH3DPP4ROCK2
SCHEMBL1709392 0.70 MAOA (0.44) TACR1KDM4EALDH1A1POLBGAA

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 3 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-8389547-B2 Piperidines and related compounds for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2013-03-05 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

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-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, PSEN1, BACE2 TACR1 316/4885KDM4E 2715/4885ALDH1A1 657/4885

“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.