SCHEMBL8230366

SCHEMBL8230366

CNCC(N)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
CYP2D6 P10635 3/20 0.47
SLC6A3 Q01959 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.44
KCNA5 P22460 5/20 0.42
BCDIN3D Q7Z5W3 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
KCNE1 P15382 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL13673876 0.82 TSHR (0.42) KCNH2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL11175372 0.79 TAAR1 (0.50) KCNH2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL311511 0.79 KCNA5 (0.50) KCNH2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL30360441 0.79 KCNA5 (0.50) KCNH2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL1579392 0.79 KCNA5 (0.50) KCNH2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL30682711 0.79 KCNA5 (0.50) KCNH2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL3465329 0.79 KCNA5 (0.50) KCNH2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL5663615 0.78 ALDH1A1 (0.43) SLC6A3CYP3A4TSHRBCDIN3DALDH1A1
SCHEMBL24134118 0.78 KCNH2 (0.47) KCNH2SLC6A2SLC6A4CYP2D6SLC6A3
SCHEMBL1205146 0.78 CYP2D6 (0.54) KCNH2SLC6A2SLC6A4CYP2D6SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT KCNH2 1662/4885SLC6A2 2096/4885SLC6A4 1427/4885

“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.