SCHEMBL17259281

SCHEMBL17259281

CC(C)(C)n1nc(CBr)cc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 6/20 0.47
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC16A3 O15427 5/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
SLC16A1 P53985 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MCTS1 Q9ULC4 3/20 0.35
SRC P12931 2/20 0.35
ABL1 P00519 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL17259248 0.84 KDM4E (0.37) P2RY6SMN1; SMN2SLC16A3SLC16A1MCTS1
SCHEMBL17259254 0.84 P2RY6 (0.47) P2RY6HPGDSMN1; SMN2SLC16A3CNR1
SCHEMBL27796493 0.81 P2RY6 (0.48) P2RY6HPGDSMN1; SMN2SLC16A3CNR1
SCHEMBL3231248 0.78 P2RY6 (0.45) P2RY6HPGDSMN1; SMN2SLC16A3CNR1
SCHEMBL2226540 0.75 SLC16A3 (0.56) SMN1; SMN2SLC16A3SLC16A1MCTS1MEN1
SCHEMBL23402242 0.75 P2RY6 (0.50) P2RY6HPGDSMN1; SMN2SLC16A3NPC1
SCHEMBL9349328 0.73 CNR1 (0.61) SLC16A3CNR1CNR2SLC16A1NPC1
SCHEMBL17259213 0.73 NR1H2 (0.46) SMN1; SMN2SLC16A3CNR1CNR2SLC16A1
SCHEMBL13698757 0.72 PTGS1 (0.59) P2RY6HPGDSMN1; SMN2PTGS2
SCHEMBL13426412 0.72 SLC16A3 (0.44) SLC16A3SLC16A1MCTS1

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-9493423-B2 Compounds capable of inhibiting voltage gated calcium ion channel, and pharmaceutical compositions comprising the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-11-15 US disclosed
US-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-19 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-20150329533-A1 COMPOUNDS CAPABLE OF INHIBITING VOLTAGE GATED CALCIUM ION CHANNEL, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CACNA1B, CACNA1F, CACNA1G P2RY6 295/4885HPGD 2024/4885SMN1; SMN2 1498/4885

“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.