SCHEMBL13604607

SCHEMBL13604607

COC(=O)CC1CCNC(c2ccc([Si](C)(C)C)cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 8/20 0.36
S1PR1 P21453 8/20 0.36
S1PR5 Q9H228 8/20 0.36
S1PR3 Q99500 5/20 0.35
DGAT1 O75907 2/20 0.35
ACHE P22303 2/20 0.32
MIF P14174 5/20 0.32
HDAC6 Q9UBN7 1/20 0.32
BRD4 O60885 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL2862149 0.86 S1PR4 (0.44) S1PR4S1PR1S1PR5S1PR3DGAT1
SCHEMBL9965883 0.84 KDM4E (0.42) S1PR4S1PR1S1PR5S1PR3
SCHEMBL8209905 0.84 KDM4E (0.42) S1PR4S1PR1S1PR5S1PR3
SCHEMBL1039190 0.84 KDM4E (0.42) S1PR4S1PR1S1PR5S1PR3
SCHEMBL4549611 0.83 NR1H2 (0.35) S1PR4S1PR1S1PR5S1PR3BRD4
SCHEMBL13513699 0.82 HTR2C (0.42) S1PR4S1PR1S1PR5S1PR3
SCHEMBL13604396 0.76 GUSB (0.43)
SCHEMBL3635469 0.73 KDM5A (0.32) DGAT1BRD4
SCHEMBL3496533 0.72 KDM1A (0.38) S1PR4S1PR1S1PR5S1PR3
SCHEMBL3495575 0.72 KDM1A (0.38) S1PR4S1PR1S1PR5S1PR3

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 S1PR4 1660/4885S1PR1 943/4885S1PR5 1399/4885

“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.