SCHEMBL13611599

SCHEMBL13611599

O=C(O)C[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 5/20 0.36
▸ OPRM1 P35372 4/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CCR2 P41597 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CYP3A5 P20815 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL8268948 0.91 OPRK1 (0.33) OPRK1OPRM1GRM5SIGMAR1MEN1
SCHEMBL8268946 0.91 PSEN1 (0.40) CCR2FFAR4PSEN1PSEN2APH1B
SCHEMBL13611497 0.89 TEAD1 (0.43) SIGMAR1ALDH1A1PSEN1PSEN2APH1B
SCHEMBL8268207 0.89 ACHE (0.37) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL13513826 0.89 MAPT (0.38) SIGMAR1ALDH1A1PSEN1PSEN2APH1B
SCHEMBL8268947 0.88 PSEN1 (0.42) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL13611862 0.88 MCHR1 (0.37) SIGMAR1HCRTR1
SCHEMBL13513892 0.87 CHRM4 (0.36) SIGMAR1KMT2AALDH1A1FFAR4
SCHEMBL8268949 0.87 GPBAR1 (0.36) FFAR4CYP3A5PSEN1PSEN2APH1B
SCHEMBL8269821 0.86 TEAD1 (0.37) MEN1KMT2AALDH1A1FFAR4PSEN1

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 OPRK1 1427/4885OPRM1 1716/4885GRM5 608/4885

“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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