SCHEMBL6581472

SCHEMBL6581472

CN(C)C(=O)c1ccc2c(c1)c(C1CCNCC1)cn2-c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.64
DRD2 P14416 9/20 0.46
HTR6 P50406 3/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HRH1 P35367 2/20 0.45
HTR1B P28222 2/20 0.45
MLNR O43193 1/20 0.44
CACNA1F O60840 1/20 0.44
NR1I2 O75469 1/20 0.44
ABCB11 O95342 1/20 0.44
ABCB1 P08183 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL6579260 0.86 KCNH2 (0.64) KCNH2DRD2HTR6HTR2AHTR2C
SCHEMBL8640342 0.82 KCNH2 (0.81) KCNH2DRD2HTR6HTR2AHTR2C
SCHEMBL6583096 0.82 HTR1A (0.72) KCNH2DRD2HTR6HTR2AHTR2C
SCHEMBL6579238 0.79 KCNH2 (0.66) KCNH2DRD2HTR6HTR2AHTR2C
SCHEMBL2739092 0.78 KCNH2 (1.00) KCNH2DRD2HTR6HTR2AHTR2C
SCHEMBL6599893 0.78 KCNH2 (0.74) KCNH2DRD2HTR6HTR2AHTR2C
Hydrochloric Acid SCHEMBL27817823 0.77 KCNH2 (0.98) KCNH2DRD2HTR6HTR2AHTR2C
SCHEMBL8642973 0.77 KCNH2 (0.73) KCNH2DRD2HTR6HTR2AHTR2C
SCHEMBL6967113 0.76 KCNH2 (0.71) KCNH2DRD2HTR6HTR2AHTR2C
SCHEMBL6583347 0.75 HTR6 (0.52) KCNH2HTR6HTR1ADRD3SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6833376-B2 5-aminoalkyl and 5-aminocarbonyl substituted indole derivative useful for treatment of psychosis in a mammal H. LUNDBECK A/S (DK) 2004-12-21 US disclosed
EP-1214312-B1 5-AMINOALKYL AND 5-AMINOCARBONYL SUBSTITUTED INDOLES LUNDBECK & CO AS H (DK) 2004-04-14 EP disclosed
US-20020169169-A1 5-aminoalkyl and 5-aminocarbonyl substituted indoles H. LUNDBECK A/S (DK) 2002-11-14 US disclosed
EP-1214312-A1 5-AMINOALKYL AND 5-AMINOCARBONYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 2002-06-19 EP disclosed
WO-2001021614-A1 5-AMINOALKYL AND 5-AMINOCARBONYL SUBSTITUTED INDOLES H. LUNDBECK A/S (DK) 2001-03-29 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-20020169169-A1 5-aminoalkyl and 5-aminocarbonyl substituted indoles ADRB1, ADRA2C, ADRB2 KCNH2 79/4885DRD2 188/4885HTR6 58/4885

“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.