SCHEMBL4010000

SCHEMBL4010000

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

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.72
CA9 Q16790 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 2/20 0.49
FAAH O00519 4/20 0.48
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMPD1 P17405 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
SCHEMBL17943745 0.89 NR1H2 (0.76) NR1H2CA9SMN1; SMN2FAAHHPGD
SCHEMBL17259243 0.88 NR1H2 (0.66) NR1H2CA9SMN1; SMN2FAAHGABRA2
SCHEMBL16553488 0.88 NR1H2 (0.66) NR1H2CA9SMN1; SMN2FAAHGABRA2
SCHEMBL14288144 0.87 FAAH (0.58) NR1H2CA9SMN1; SMN2POLBFAAH
SCHEMBL2227637 0.85 SMN1; SMN2 (0.64) NR1H2CA9SMN1; SMN2POLBFAAH
SCHEMBL16553515 0.84 NR1H2 (1.00) NR1H2CA9FAAH
SCHEMBL4012670 0.82 NR1H2 (0.51) NR1H2ALDH1A1HPGDMAPTKDM4E
SCHEMBL31429493 0.81 CA9 (0.53) NR1H2CA9SMN1; SMN2POLBFAAH
SCHEMBL5966736 0.81 NR1H2 (0.51) NR1H2SMN1; SMN2POLBGAAKMT2A
SCHEMBL17317464 0.81 NR1H2 (0.58) NR1H2KMT2AMAPT

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 NR1H2 2965/4885CA9 1762/4885SMN1; SMN2 1498/4885
US-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 NR1H2 567/4885CA9 4575/4885SMN1; SMN2 3501/4885

“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.