SCHEMBL3965181

SCHEMBL3965181

NC(=O)CN1CC(CCN2CCC(c3ccc4[nH]ccc4c3)CC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.50
DRD2 P14416 3/20 0.50
CHRM1 P11229 1/20 0.50
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
LTA4H P09960 1/20 0.38
ACHE P22303 4/20 0.38
HTR4 Q13639 4/20 0.38
SIGMAR1 Q99720 1/20 0.38
PARP1 P09874 1/20 0.36
DRD4 P21917 1/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HTR7 P34969 2/20 0.35
ADRA1B P35368 2/20 0.35
ADRA1A P35348 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
SCHEMBL3963826 1.00 KCNH2 (0.50) KCNH2DRD2CHRM1SLC6A4SLC6A2
Oxalic Acid SCHEMBL3962175 0.97 KCNH2 (0.48) KCNH2DRD2CHRM1SLC6A4SLC6A2
Oxalic Acid SCHEMBL3962181 0.97 KCNH2 (0.48) KCNH2DRD2CHRM1SLC6A4SLC6A2
SCHEMBL3965943 0.88 DRD2 (0.51) KCNH2DRD2CHRM1SLC6A4SLC6A2
SCHEMBL3962107 0.88 DRD2 (0.51) KCNH2DRD2CHRM1SLC6A4SLC6A2
SCHEMBL3956191 0.87 DRD2 (0.51) KCNH2DRD2CHRM1SLC6A4SLC6A2
SCHEMBL3956189 0.87 DRD2 (0.51) KCNH2DRD2CHRM1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL3963423 0.87 DRD2 (0.51) KCNH2DRD2CHRM1SLC6A4SLC6A2
Oxalic Acid SCHEMBL3963899 0.85 DRD2 (0.49) KCNH2DRD2CHRM1SLC6A4SLC6A2
Oxalic Acid SCHEMBL3963911 0.85 DRD2 (0.49) KCNH2DRD2CHRM1SLC6A4SLC6A2

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
CN-101243075-A Novel 2,3-dihydroindole compounds LUNDBECK & CO AS H (DK) 2008-08-13 CN claimed
EP-1928860-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H.Lundbeck A/S (DK) 2008-06-11 EP claimed
WO-2007019867-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 2007-02-22 WO claimed
US-20070043058-A1 Novel 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2007-02-22 US claimed
US-7544685-B2 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2009-06-09 US disclosed
CN-101243075-A Novel 2,3-dihydroindole compounds LUNDBECK & CO AS H (DK) 2008-08-13 CN disclosed
EP-1928860-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H.Lundbeck A/S (DK) 2008-06-11 EP disclosed
WO-2007019867-A1 NOVEL 2,3-DIHYDROINDOLE COMPOUNDS H. LUNDBECK A/S (DK) 2007-02-22 WO disclosed
US-20070043058-A1 Novel 2,3-dihydroindole compounds H. LUNDBECK A/S (DK) 2007-02-22 US 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-20070043058-A1 Novel 2,3-dihydroindole compounds HTR2C, HTR2A, HTR5A KCNH2 1354/4885DRD2 24/4885CHRM1 317/4885

“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.