SCHEMBL4883975

SCHEMBL4883975

O=C1CCCSCCCCc2cccc(c2)CCN1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.40
FKBP5 Q13451 1/20 0.40
OR51E2 Q9H255 1/20 0.37
RYR1 P21817 7/20 0.35
FKBP1A P62942 6/20 0.35
BMPR2 Q13873 1/20 0.32
PARP1 P09874 1/20 0.31
MME P08473 4/20 0.30
ACE P12821 4/20 0.30
ECE1 P42892 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL5184127 0.79 CRBN (0.38) CRBNFKBP5OR51E2RYR1FKBP1A
SCHEMBL5105763 0.73 OR51E2 (0.36) CRBNFKBP5OR51E2RYR1FKBP1A
2-Pyrrolidone SCHEMBL9100871 0.72 OR51E2 (0.71) CRBNFKBP5OR51E2
SCHEMBL10764833 0.72
SCHEMBL31557611 0.65 TSHR (0.38) MMEACEECE1
SCHEMBL31557612 0.65 TSHR (0.38) MMEACEECE1
SCHEMBL18425184 0.65 TRIM24 (0.38) BMPR2MMEACEECE1
SCHEMBL18396750 0.65
SCHEMBL25430542 0.63 CRBN (0.94) CRBNFKBP5OR51E2
SCHEMBL14811593 0.63

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214526-A1 Macrocyclic Compounds and Compositions Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-09-04 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-20080214526-A1 Macrocyclic Compounds and Compositions Useful as Bace Inhibitors BACE1, BACE2, APP CRBN 1100/4885FKBP5 3581/4885OR51E2 2154/4885

“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.