SCHEMBL2221587

SCHEMBL2221587

CC(C)c1ccnc(N2CCN(Cc3ccc(CN4CCN(c5nccc(C(C)C)c5C(=O)O)CC4)cc3)CC2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
HSD11B1 P28845 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
FAAH O00519 1/20 0.40
HTR7 P34969 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL14632831 0.95 MEN1 (0.41) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL14632768 0.94 CA2 (0.39) HTR3EHTR3BHTR1AHTR2CHTR3A
Hydrochloric Acid SCHEMBL2223657 0.94 MEN1 (0.41) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL2222049 0.94 HTR3E (0.38) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL2226347 0.92 GPR183 (0.37) HTR3EHTR3BHTR1AHTR2CHTR3A
Hydrochloric Acid SCHEMBL2222910 0.92 HTR3E (0.44) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL2223374 0.91 TRPA1 (0.37) HTR3EHTR3BHTR1AHTR2CHTR3A
SCHEMBL15656473 0.91 KDM4E (0.49) ALDH1A1SMN1; SMN2HTTLMNAKDM4E
SCHEMBL15656299 0.91 HRH3 (0.40) HTR3EHTR3BHTR1AHTR2CHTR3A
Hydrochloric Acid SCHEMBL14485309 0.91 HTR3E (0.43) HTR3EHTR3BHTR1AHTR2CHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP claimed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO claimed
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP 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
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 HTR3E 1098/4885HTR3B 557/4885HTR1A 820/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 HTR3E 1250/4885HTR3B 716/4885HTR1A 942/4885

“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.