SCHEMBL13513892

SCHEMBL13513892

O=C(O)C[C@H]1CCN(Cc2ccc(-c3ccccc3)cc2)[C@@H](C2C=CC(C(F)(F)F)=CC2)C1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.36
▸ RORC P51449 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ SIGMAR1 Q99720 6/20 0.34
▸ POLB P06746 1/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.34
▸ TEAD1 P28347 2/20 0.34
▸ S1PR5 Q9H228 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 0.94 ACHE (0.37) CHRM4KMT2ALTA4HTEAD1
SCHEMBL8269820 0.92 FFAR4 (0.38) CHRM4KMT2AFFAR4S1PR1S1PR3
SCHEMBL8269819 0.91 SIGMAR1 (0.34) CHRM4ALDH1A1KMT2ASIGMAR1POLB
SCHEMBL13611497 0.91 TEAD1 (0.43) CHRM4RORCALDH1A1SIGMAR1TEAD1
SCHEMBL8268946 0.91 PSEN1 (0.40) FFAR4LTA4HPOLBTEAD1
SCHEMBL13611862 0.89 MCHR1 (0.37) SIGMAR1
SCHEMBL8268947 0.88 PSEN1 (0.42) RORCALDH1A1TEAD1
SCHEMBL8269821 0.88 TEAD1 (0.37) RORCALDH1A1KMT2AFFAR4TEAD1
SCHEMBL8269825 0.87 FFAR4 (0.39) CHRM4FFAR4
SCHEMBL13611599 0.87 OPRK1 (0.36) ALDH1A1KMT2AFFAR4SIGMAR1

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
EP-1805141-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (GB) 2010-01-20 — — EP disclosed
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 CHRM4 944/4885RORC 3843/4885ALDH1A1 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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