SCHEMBL13007680

SCHEMBL13007680

CC[C@H](CNS(C)(=O)=O)n1c(O)nc2ncc(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 3/20 0.33
TP53 P04637 2/20 0.33
BACE1 P56817 2/20 0.32
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32
MET P08581 1/20 0.31
HCRTR2 O43614 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
SCHEMBL3674271 1.00 MDM2 (0.33) MDM2TP53BACE1PER2CRY1
SCHEMBL3667708 0.85 HRH4 (0.33) BACE1
SCHEMBL3666328 0.84 BACE1 (0.36) BACE1
SCHEMBL13007684 0.83 BACE1 (0.34) MDM2TP53BACE1HCRTR2
SCHEMBL3668395 0.83 BACE1 (0.34) MDM2TP53BACE1HCRTR2
SCHEMBL3672320 0.83 BACE1 (0.35) BACE1
SCHEMBL3667642 0.82 BACE1 (0.31) BACE1
SCHEMBL3669875 0.81 BACE1 (0.30) BACE1
SCHEMBL3669278 0.81 HRH4 (0.32) BACE1HCRTR2
SCHEMBL13007631 0.81 HRH4 (0.32) BACE1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 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-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 MDM2 2864/4885TP53 723/4885BACE1 3389/4885

“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.