SCHEMBL2223067

SCHEMBL2223067

Cc1ccccc1-c1ccccc1CN1CC[C@@H](N(C)c2ncccc2C(=O)OC(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
GMNN O75496 2/20 0.44
HPGD P15428 2/20 0.44
PMP22 Q01453 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
DRD1 P21728 1/20 0.40
HTR2A P28223 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MITF O75030 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2224761 0.93 ALDH1A1 (0.47) ALDH1A1DRD2DRD4DRD3LMNA
SCHEMBL2226949 0.91 DRD2 (0.47) ALDH1A1DRD2DRD4DRD3LMNA
SCHEMBL2224077 0.88 DRD2 (0.44) ALDH1A1DRD2DRD4DRD3LMNA
SCHEMBL14632877 0.88 CD274 (0.45) ALDH1A1DRD2DRD4DRD3LMNA
SCHEMBL12517229 0.86 DRD2 (0.47) ALDH1A1DRD2DRD4DRD3LMNA
SCHEMBL12516842 0.85 DRD2 (0.60) ALDH1A1DRD2DRD4DRD3LMNA
SCHEMBL12516846 0.85 DRD2 (0.60) ALDH1A1DRD2DRD4DRD3LMNA
SCHEMBL19831677 0.85 DRD2 (0.60) ALDH1A1DRD2DRD4DRD3LMNA
SCHEMBL12517066 0.85 S1PR1 (0.49) ALDH1A1DRD2DRD4DRD3LMNA
SCHEMBL2222594 0.85 S1PR1 (0.49) ALDH1A1DRD2DRD4DRD3LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B ALDH1A1 2656/4885DRD2 2023/4885DRD4 2729/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 ALDH1A1 2495/4885DRD2 2003/4885DRD4 2850/4885

“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.