SCHEMBL17259290

SCHEMBL17259290

CC(C)(C)n1nc(CO)cc1-c1ccc(N2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 6/20 0.38
PTGS2 P35354 3/20 0.38
SIRT2 Q8IXJ6 3/20 0.38
SIRT1 Q96EB6 2/20 0.38
CHKA P35790 1/20 0.36
CFTR P13569 1/20 0.35
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL17259314 0.87 MAPT (0.36) SIRT2SIRT1CHKAMAPTPPARG
SCHEMBL17259316 0.87 SIRT2 (0.34) SIRT2SIRT1CHKAMAPTPPARG
SCHEMBL17259300 0.79 CYP3A4 (0.40) CA1CA2CA9PTGS2MAPT
SCHEMBL17259264 0.77 KCNH2 (0.36) SIRT2SIRT1PPARGPPARDPPARA
SCHEMBL17259231 0.77 ALDH1A1 (0.44) SIRT2SIRT1MAPTCYP1A2CYP3A4
SCHEMBL17259269 0.77 MEN1 (0.38) SIRT2SIRT1MAPTPPARGPPARD
SCHEMBL17259242 0.76 SIRT2 (0.49) CA9SIRT2SIRT1PPARGPPARD
SCHEMBL17259319 0.76 LMNA (0.46) MAPTGFER
SCHEMBL3229075 0.71 DRD2 (0.51)
SCHEMBL3228750 0.69 HSD17B10 (0.51) MAPTHTTSMN1; SMN2

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 CA1 719/4885CA2 151/4885CA9 1762/4885

“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.