SCHEMBL5753076

SCHEMBL5753076

COc1ccc(N2CCN(Cc3ccc4cc[nH]c4c3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.60
DRD3 P35462 3/20 0.54
DRD2 P14416 6/20 0.53
PARP1 P09874 2/20 0.52
TNK1 Q13470 2/20 0.52
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
TNK2 Q07912 1/20 0.49
ALDH1A1 P00352 4/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FAAH O00519 1/20 0.47

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
SCHEMBL5752241 0.92 DRD4 (0.56) DRD4DRD3DRD2PARP1TNK1
SCHEMBL5750626 0.86 DRD4 (0.58) DRD4DRD3DRD2PARP1TNK1
SCHEMBL5750042 0.84 MAPT (0.58) DRD4DRD3DRD2PARP1TNK1
SCHEMBL11819664 0.82 DRD4 (0.65) DRD4DRD3DRD2MEN1POLB
SCHEMBL23932588 0.81 PARP1 (0.52) DRD4DRD2PARP1TNK1POLB
SCHEMBL30040708 0.81 PARP1 (0.52) DRD4DRD2PARP1TNK1POLB
SCHEMBL5749853 0.80 KDM4E (0.63) DRD4DRD2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13167056 0.79 PARP1 (0.69) DRD4DRD3DRD2PARP1TNK1
SCHEMBL5753297 0.78 ABCB1 (0.52) DRD4DRD3DRD2MEN1KMT2A
SCHEMBL5751758 0.78 DRD4 (0.56) DRD4DRD3DRD2PARP1TNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309586-B1 4-, 5-, 6- AND 7-INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2006-03-22 EP claimed
US-6958338-B2 4-,5-,6-and 7-indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-10-25 US claimed
US-20030166665-A1 4-,5-,6-And 7-indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-09-04 US claimed
US-7105543-B2 4-, 5-, 6- and 7-indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2006-09-12 US disclosed
EP-1309586-B1 4-, 5-, 6- AND 7-INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2006-03-22 EP disclosed
US-20060004022-A1 4-, 5-, 6- And 7-indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2006-01-05 US disclosed
US-6958338-B2 4-,5-,6-and 7-indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-10-25 US disclosed
US-20030166665-A1 4-,5-,6-And 7-indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-09-04 US disclosed
EP-1309586-A1 4-, 5-, 6- AND 7-INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-05-14 EP disclosed
WO-2002016349-A1 4-, 5-, 6- AND 7-INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-02-28 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 (2 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-20060004022-A1 4-, 5-, 6- And 7-indole derivatives useful for the treatment of CNS disorders HTR3C, SLC6A3, HTR6 DRD4 4/4885DRD3 5/4885DRD2 6/4885
US-20030166665-A1 4-,5-,6-And 7-indole derivatives useful for the treatment of CNS disorders HTR3C, HTR6, SLC6A3 DRD4 10/4885DRD3 9/4885DRD2 12/4885

“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.