SCHEMBL2223374

SCHEMBL2223374

CCNCc1ccc(CN2CCN(c3nccc(C(C)C)c3C(=O)O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
FAAH O00519 2/20 0.36
ACHE P22303 3/20 0.36
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2C P28335 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HSD11B1 P28845 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CCR5 P51681 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL2221587 0.91 HTR3E (0.42) FAAHPOLBHTTHTR3EHTR3B
SCHEMBL14632831 0.86 MEN1 (0.41) FAAHPOLBHTTHTR3EHTR3B
SCHEMBL2226347 0.86 GPR183 (0.37) FAAHHTTHTR3EHTR3BHTR1A
SCHEMBL2222049 0.85 HTR3E (0.38) FAAHPOLBHTTHTR3EHTR3B
SCHEMBL14632768 0.85 CA2 (0.39) FAAHHTTHTR3EHTR3BHTR1A
Hydrochloric Acid SCHEMBL2223657 0.85 MEN1 (0.41) FAAHPOLBHTTHTR3EHTR3B
SCHEMBL2222350 0.85 MEN1 (0.46) ACHEPOLBHTTHSD11B1ALDH1A1
SCHEMBL15656299 0.84 HRH3 (0.40) POLBHTTHTR3EHTR3BHTR1A
Hydrochloric Acid SCHEMBL2222910 0.84 HTR3E (0.44) FAAHACHEHTR3EHTR3BHTR1A
SCHEMBL2225703 0.83 RAB9A (0.39) ACHEPKMALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US 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 (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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B TRPA1 82/4885FAAH 1643/4885ACHE 813/4885

“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.