SCHEMBL3665526

SCHEMBL3665526

CC[C@@H](CN1CCN(C(=O)O)CC1)n1c(O)nc2ncc(Cl)cc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 3/20 0.33
MDM2 Q00987 3/20 0.33
ATM Q13315 1/20 0.31
HRH4 Q9H3N8 4/20 0.30
HRH3 Q9Y5N1 3/20 0.30
BACE1 P56817 2/20 0.30
KMO O15229 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
EPHX2 P34913 2/20 0.30
HTR3A P46098 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
SCHEMBL3666472 0.89 LMNA (0.34) MEN1KMT2ATP53MAPTTHRB
SCHEMBL13007633 0.89 LMNA (0.34) MEN1KMT2ATP53MAPTTHRB
SCHEMBL3670216 0.86 LTA4H (0.37) POLBHRH4HRH3BACE1HTR3A
SCHEMBL3673491 0.84 TP53 (0.36) MEN1KMT2ATP53MDM2ATM
SCHEMBL3670815 0.84 TP53 (0.36) MEN1KMT2ATP53MDM2ATM
SCHEMBL3666767 0.83 USP14 (0.32) MEN1KMT2AHRH4HRH3BACE1
SCHEMBL3666328 0.81 BACE1 (0.36) POLBHRH4HRH3BACE1HTR3A
SCHEMBL3673977 0.80 CYP2D6 (0.35) MEN1KMT2ATP53HRH3BACE1
SCHEMBL3669538 0.80 CYP2D6 (0.35) MEN1KMT2ATP53HRH3BACE1
SCHEMBL15324501 0.78 L3MBTL1 (0.31)

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
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP disclosed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO 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 MEN1 3647/4885KMT2A 3851/4885POLB 721/4885

“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.