SCHEMBL13611435

SCHEMBL13611435

O=C(O)C[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CACNA1I Q9P0X4 1/20 0.40
▸ DRD4 P21917 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ GRK5 P34947 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL8268962 0.91 MEN1 (0.40) ALDH1A1SMN1; SMN2SIGMAR1KMT2AMEN1
SCHEMBL8267625 0.91 FFAR4 (0.39) S1PR1
SCHEMBL8268207 0.91 ACHE (0.37) KMT2AMEN1FAAHCHRM4LMNA
SCHEMBL8269820 0.90 FFAR4 (0.38) SIGMAR1KMT2AMEN1FAAHCHRM4
SCHEMBL13513826 0.90 MAPT (0.38) ALDH1A1SMN1; SMN2SIGMAR1KCNH2CACNA1I
SCHEMBL13611497 0.89 TEAD1 (0.43) ALDH1A1SIGMAR1KCNH2CHRM4KDM4E
SCHEMBL13611862 0.88 MCHR1 (0.37) SIGMAR1DRD4
SCHEMBL13611599 0.86 OPRK1 (0.36) ALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL13513892 0.85 CHRM4 (0.36) ALDH1A1SIGMAR1KMT2ACHRM4S1PR1
SCHEMBL8268946 0.85 PSEN1 (0.40) —

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 ALDH1A1 736/4885SMN1; SMN2 1132/4885SIGMAR1 2376/4885

“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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