SCHEMBL12635754

SCHEMBL12635754

N[C@@H](Cc1ccccc1)[C@H](O)CN1Cc2ccccc2CC(c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.43
CSNK1E P49674 1/20 0.40
SLC18A3 Q16572 1/20 0.40
PRMT5 O14744 11/20 0.40
WDR77 Q9BQA1 11/20 0.40

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
SCHEMBL12635740 0.86 CSNK1E (0.43) HDAC8CSNK1EPRMT5WDR77
SCHEMBL12635744 0.86 CSNK1E (0.43) HDAC8CSNK1EPRMT5WDR77
SCHEMBL495855 0.85 HDAC8 (0.50) HDAC8CSNK1EPRMT5WDR77
Hydrochloric Acid SCHEMBL496040 0.83 HDAC8 (0.51) HDAC8CSNK1EPRMT5WDR77
SCHEMBL12671626 0.81 CSNK1E (0.38) HDAC8CSNK1ESLC18A3
SCHEMBL496299 0.80 SLC18A3 (0.52) CSNK1ESLC18A3
SCHEMBL496300 0.80 SLC18A3 (0.52) CSNK1ESLC18A3
Hydrochloric Acid SCHEMBL496575 0.79 SLC18A3 (0.51) SLC18A3
Hydrochloric Acid SCHEMBL496576 0.79 SLC18A3 (0.51) SLC18A3
SCHEMBL496381 0.79 PRMT5 (0.56) HDAC8PRMT5WDR77

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-8283346-B2 Human immunodeficiency virus protease inhibitors THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY (US) 2012-10-09 US disclosed
US-20110112068-A1 HUMAN IMMUNODEFICIENCY VIRUS PROTEASE INHIBITORS THE TRUSTEES OF THE STEVENS INSTITUTE OF TECHNOLOGY 2011-05-12 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-20110112068-A1 HUMAN IMMUNODEFICIENCY VIRUS PROTEASE INHIBITORS SERPINB1, PREP, TMPRSS15 HDAC8 1103/4885CSNK1E 1630/4885SLC18A3 3350/4885

“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.