SCHEMBL17259243

SCHEMBL17259243

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.66
CHRNA7 P36544 3/20 0.55
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
FAAH O00519 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
SMPD1 P17405 1/20 0.47
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL16553488 0.88 NR1H2 (0.66) NR1H2CHRNA7GABRA2GABRB2FAAH
SCHEMBL4010000 0.88 NR1H2 (0.72) NR1H2GABRA2GABRB2FAAHSMN1; SMN2
SCHEMBL17943745 0.84 NR1H2 (0.76) NR1H2FAAHSMN1; SMN2CA9HPGD
SCHEMBL2359050 0.83 CHRNA7 (0.55) NR1H2CHRNA7GABRA2GABRB2FAAH
SCHEMBL3603850 0.81 CHRNA7 (0.60) NR1H2CHRNA7GABRA2GABRB2FAAH
SCHEMBL17943801 0.81 NR1H2 (0.91) NR1H2CHRNA7GABRA2GABRB2FAAH
SCHEMBL16553515 0.80 NR1H2 (1.00) NR1H2CHRNA7FAAHCA9
SCHEMBL17317464 0.79 NR1H2 (0.58) NR1H2MAPT
SCHEMBL17259224 0.79 CHRNA7 (0.58) NR1H2CHRNA7GABRA2GABRB2FAAH
SCHEMBL16566090 0.78 NR1H2 (1.00) NR1H2CHRNA7GABRA2GABRB2FAAH

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 NR1H2 2965/4885CHRNA7 208/4885GABRA2 202/4885

“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.