SCHEMBL4909741

SCHEMBL4909741

COC(=O)C1([C@H]2CCN(Cc3cc(C(F)(F)F)ccc3C(F)(F)F)[C@@H](c3ccc(C(F)(F)F)cc3)C2)CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 19/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4920644 0.91 FFAR1 (0.38) FFAR1KDM4EALDH1A1POLBGAA
SCHEMBL2863855 0.89 FFAR1 (0.38) FFAR1
SCHEMBL2864053 0.89 FFAR1 (0.38) FFAR1
SCHEMBL8269926 0.82 FFAR1 (0.33) FFAR1
SCHEMBL13611604 0.82 FFAR1 (0.33) FFAR1
SCHEMBL2854393 0.82 FFAR1 (0.39) FFAR1
SCHEMBL2854396 0.82 FFAR1 (0.39) FFAR1
SCHEMBL4515377 0.81 ENPP2 (0.42) FFAR1KDM4EALDH1A1POLBGAA
SCHEMBL13513705 0.80 FFAR1 (0.40) FFAR1KDM4EALDH1A1POLBGAA
SCHEMBL4909747 0.80 FFAR1 (0.35) 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 3 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
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 FFAR1 1996/4885KDM4E 3480/4885ALDH1A1 736/4885

“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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