SCHEMBL29313893

SCHEMBL29313893

COC1=CC(=O)N(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 3/20 0.39
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BRD2 P25440 1/20 0.32
GSK3A P49840 1/20 0.30
GSK3B P49841 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
SCHEMBL1303497 0.72 DRD2 (0.34)
SCHEMBL18465886 0.71
SCHEMBL16519658 0.71 MEN1 (0.41) GAASMN1; SMN2MEN1KMT2ABRD4
SCHEMBL11989615 0.70
SCHEMBL20282690 0.70
SCHEMBL12719145 0.68 GAA (0.31) GAASMN1; SMN2MEN1KMT2A
SCHEMBL450333 0.67
SCHEMBL24568370 0.67 NOS3 (0.34) BRD4BRD2
SCHEMBL17540180 0.67 BRD4 (0.32) BRD4BRD2
SCHEMBL18465887 0.67 BRD4 (0.32) BRD4BRD2

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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
WO-2022128850-A1 NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-06-23 WO 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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 GAA 920/4885SMN1; SMN2 3598/4885MEN1 258/4885

“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.