SCHEMBL17259245

SCHEMBL17259245

CCOC(=O)c1cc(CC(C)C)n(-c2ccc(F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.55
TP53 P04637 2/20 0.50
ALDH1A1 P00352 3/20 0.48
THRB P10828 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
CA9 Q16790 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL13389565 0.88 KMT2A (0.60) TP53ALDH1A1THRBKMT2AMAPT
SCHEMBL5340205 0.82 CHRNA7 (0.61) CHRNA7TP53ALDH1A1THRBGABRA2
SCHEMBL4701523 0.80 CHRNA7 (0.62) CHRNA7TP53ALDH1A1THRBGABRA2
SCHEMBL30979683 0.79 CHRNA7 (0.58) CHRNA7TP53ALDH1A1THRBGABRA2
SCHEMBL28820555 0.78 CNR1 (0.61) CHRNA7TP53ALDH1A1THRBGABRA2
SCHEMBL731177 0.77 MPO (0.46) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL9203679 0.76 CHRNA7 (0.77) CHRNA7GABRA2GABRB2KMT2AMAPT
SCHEMBL22896893 0.75 KMT2A (0.65) TP53ALDH1A1THRBGABRA2GABRB2
SCHEMBL17259226 0.75 KMT2A (0.40) TP53ALDH1A1KMT2AMAPTTDP1
SCHEMBL9206474 0.74 CHRNA7 (0.77) CHRNA7GABRA2GABRB2KMT2AMEN1

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 CHRNA7 208/4885TP53 4593/4885ALDH1A1 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.