SCHEMBL13611862

SCHEMBL13611862

O=C(O)C[C@H]1CCN(Cc2ccc3ccccc3c2)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.37
▸ SIGMAR1 Q99720 3/20 0.37
▸ CCR4 P51679 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ CASR P41180 1/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ CXCR4 P61073 1/20 0.35
▸ CCR3 P51677 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34

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
SCHEMBL8268207 0.91 ACHE (0.37) —
SCHEMBL13513892 0.89 CHRM4 (0.36) SIGMAR1
SCHEMBL8269820 0.89 FFAR4 (0.38) SIGMAR1CASRCXCR4HCRTR1HCRTR2
SCHEMBL13611435 0.88 ALDH1A1 (0.41) SIGMAR1DRD4
SCHEMBL13611599 0.88 OPRK1 (0.36) SIGMAR1HCRTR1
SCHEMBL13611497 0.87 TEAD1 (0.43) SIGMAR1
SCHEMBL8268946 0.87 PSEN1 (0.40) —
SCHEMBL13513826 0.87 MAPT (0.38) SIGMAR1DRD4CXCR4
SCHEMBL8269825 0.86 FFAR4 (0.39) —
SCHEMBL8267625 0.85 FFAR4 (0.39) —

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 MCHR1 3568/4885SIGMAR1 2376/4885CCR4 4769/4885

“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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