SCHEMBL13007633

SCHEMBL13007633

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.34
TP53 P04637 3/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALK Q9UM73 2/20 0.33
SMO Q99835 3/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.32
THRB P10828 1/20 0.32

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 1.00 LMNA (0.34) LMNATP53TSHRMAPTSMN1; SMN2
SCHEMBL3669538 0.91 CYP2D6 (0.35) LMNATP53MAPTSMN1; SMN2ALK
SCHEMBL3673977 0.91 CYP2D6 (0.35) LMNATP53MAPTSMN1; SMN2ALK
SCHEMBL3665526 0.89 MEN1 (0.33) TP53MAPTMEN1KMT2ATHRB
SCHEMBL3670216 0.84 LTA4H (0.37) LMNATSHRHPGDCYP2D6
SCHEMBL3673491 0.82 TP53 (0.36) TP53TSHRMAPTSMN1; SMN2HPGD
SCHEMBL3670815 0.82 TP53 (0.36) TP53TSHRMAPTSMN1; SMN2HPGD
SCHEMBL3666767 0.81 USP14 (0.32) MEN1KMT2ACYP2D6
SCHEMBL975515 0.80 CYP2D6 (0.32) LMNACYP2D6
SCHEMBL3666328 0.79 BACE1 (0.36) TSHRHPGD

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 LMNA 391/4885TP53 723/4885TSHR 647/4885

“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.