SCHEMBL4016328

SCHEMBL4016328

CCOC(=O)c1cc(-c2ccccc2)n(C(C)(C)C)n1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.57
GABRA2 P47869 2/20 0.49
GABRB2 P47870 2/20 0.49
GAA P10253 2/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
TSHR P16473 2/20 0.48
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 4/20 0.47
NR1H2 P55055 1/20 0.47
POLB P06746 1/20 0.46
FAAH O00519 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL18358741 0.88 CA9 (0.45) CA9ALDH1A1HPGDNPSR1NR1H2
SCHEMBL17259224 0.87 CHRNA7 (0.58) CA9GABRA2GABRB2ALDH1A1SMN1; SMN2
SCHEMBL17259268 0.85 MAPT (0.47) CA9KMT2AMAPTNR1H2FAAH
SCHEMBL1779589 0.83 CA9 (0.59) CA9GABRA2GABRB2GAAKMT2A
SCHEMBL4011177 0.83 RPA1 (0.58) KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL14288144 0.82 FAAH (0.58) CA9GABRA2GABRB2GAAKMT2A
SCHEMBL28804760 0.81 CA9 (0.57) CA9GABRA2GABRB2GAAKMT2A
SCHEMBL9630738 0.81 CA9 (0.77) CA9GAAKMT2AMAPTFAAH
SCHEMBL17259242 0.81 SIRT2 (0.49) CA9KMT2AALDH1A1TSHRFAAH
SCHEMBL4009954 0.80 PLA2G10 (0.48) KMT2AALDH1A1SMN1; SMN2HPGDNPSR1

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 7 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
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 WO disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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 (2 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 CA9 1762/4885GABRA2 202/4885GABRB2 179/4885
US-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 CA9 4575/4885GABRA2 4670/4885GABRB2 4091/4885

“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.