SCHEMBL3673977

SCHEMBL3673977

COC(=O)N1CCN(C[C@@H](CC(C)C)n2c(O)nc3ncc(Cl)cc32)CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
LMNA P02545 3/20 0.33
BACE1 P56817 1/20 0.33
TP53 P04637 2/20 0.33
HRH3 Q9Y5N1 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALK Q9UM73 2/20 0.32
SMO Q99835 2/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KDR P35968 1/20 0.32
ETV6 P41212 1/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
EPHX2 P34913 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3669538 1.00 CYP2D6 (0.35) CYP2D6LMNABACE1TP53HRH3
SCHEMBL13007633 0.91 LMNA (0.34) CYP2D6LMNATP53MAPTSMN1; SMN2
SCHEMBL3666472 0.91 LMNA (0.34) CYP2D6LMNATP53MAPTSMN1; SMN2
SCHEMBL3673658 0.82 TSHR (0.33) LMNATP53HRH3MAPTSMN1; SMN2
SCHEMBL3674193 0.82 TSHR (0.33) LMNATP53HRH3MAPTSMN1; SMN2
SCHEMBL3665526 0.80 MEN1 (0.33) BACE1TP53HRH3MAPTDRD2
SCHEMBL3672288 0.76 BACE1 (0.34) BACE1HRH3HPGD
SCHEMBL3667535 0.76 BACE1 (0.34) BACE1HRH3HPGD
SCHEMBL3670216 0.74 LTA4H (0.37) CYP2D6LMNABACE1HRH3HPGD
SCHEMBL3669877 0.73 HRH4 (0.33) BACE1HRH3HPGD

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 8 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 claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
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 CYP2D6 4610/4885LMNA 391/4885BACE1 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.