SCHEMBL4515377

SCHEMBL4515377

COC(=O)[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2C(F)(F)F)[C@H](c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.42
▸ FFAR1 O14842 9/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP3A4 P08684 2/20 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
SCHEMBL2856341 0.88 NOTUM (0.43) ENPP2FFAR1
SCHEMBL2856343 0.88 NOTUM (0.43) ENPP2FFAR1
SCHEMBL2856340 0.88 NOTUM (0.43) ENPP2FFAR1
SCHEMBL13513705 0.83 FFAR1 (0.40) FFAR1KDM4ETDP1ALDH1A1MAPK1
SCHEMBL4909741 0.81 FFAR1 (0.36) FFAR1KDM4ETDP1ALDH1A1MAPK1
SCHEMBL13604427 0.81 FFAR1 (0.40) FFAR1
SCHEMBL4920644 0.81 FFAR1 (0.38) FFAR1KDM4ETDP1ALDH1A1MAPK1
SCHEMBL4517856 0.81 FFAR1 (0.40) FFAR1
SCHEMBL2853999 0.80 PSEN1 (0.51) FFAR1
SCHEMBL8267623 0.80 PSEN1 (0.51) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638629-B2 Piperidines and related compounds for treatment of alzheimer's disease Merck Sharp & Dohme Ltd, (GB) 2009-12-29 — — 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 (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-20080021043-A1 Piperidines and Related Compounds for Treatment of Alzheimer's Disease PSEN1, PSEN2, APP ENPP2 1689/4885FFAR1 1996/4885KDM4E 3480/4885

“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.

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