SCHEMBL3961606

SCHEMBL3961606

c1ccc2c(c1)NCC2CCN1CCC(c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.52
KCNH2 Q12809 3/20 0.52
CHRM1 P11229 1/20 0.52
SLC6A4 P31645 3/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
DRD4 P21917 1/20 0.39
CHRNA7 P36544 1/20 0.38
HTR7 P34969 2/20 0.37
ADRA1B P35368 2/20 0.37
LTA4H P09960 2/20 0.37
ACHE P22303 2/20 0.37
HTR4 Q13639 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
GRIN1 Q05586 1/20 0.36
TLR9 Q9NR96 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
SCHEMBL3961601 1.00 DRD2 (0.52) DRD2KCNH2CHRM1SLC6A4SLC6A2
SCHEMBL3958641 0.82 HTR7 (0.49) DRD2SLC6A4SLC6A2SLC6A3DRD4
SCHEMBL3957782 0.82 HTR7 (0.49) DRD2SLC6A4SLC6A2SLC6A3DRD4
SCHEMBL3957776 0.82 HTR7 (0.49) DRD2SLC6A4SLC6A2SLC6A3DRD4
SCHEMBL3958596 0.77 SIGMAR1 (0.40) DRD2DRD4HTR7SIGMAR1
SCHEMBL3958594 0.77 SIGMAR1 (0.40) DRD2DRD4HTR7SIGMAR1
SCHEMBL3965943 0.76 DRD2 (0.51) DRD2KCNH2CHRM1SLC6A4SLC6A2
SCHEMBL3962107 0.76 DRD2 (0.51) DRD2KCNH2CHRM1SLC6A4SLC6A2
SCHEMBL3958993 0.76 DRD2 (0.51) DRD2KCNH2CHRM1SLC6A4SLC6A2
SCHEMBL3959934 0.76 DRD4 (0.39) DRD2SLC6A4DRD4HTR7SIGMAR1

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-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 DRD2 24/4885KCNH2 1354/4885CHRM1 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.