SCHEMBL5753567

SCHEMBL5753567

Clc1ccc(C2=CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.54
DRD3 P35462 6/20 0.54
DRD2 P14416 4/20 0.54
PARP1 P09874 5/20 0.53
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
ABCB1 P08183 1/20 0.47
HTR6 P50406 1/20 0.46
F7 P08709 1/20 0.46
LTA4H P09960 1/20 0.46
F3 P13726 1/20 0.46
AHR P35869 1/20 0.46
NR4A2 P43354 1/20 0.46
MAPK1 P28482 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL7080590 0.89 OPRM1 (0.48) DRD4DRD3DRD2PARP1OPRM1
SCHEMBL8426990 0.78 KDM4E (0.51) DRD4DRD3DRD2OPRM1OPRK1
SCHEMBL8426987 0.78 KDM4E (0.51) DRD4DRD3DRD2OPRM1OPRK1
SCHEMBL5754611 0.76 MAPT (0.57) DRD4DRD3DRD2F7LTA4H
SCHEMBL10287534 0.76 SIGMAR1 (0.71) DRD4DRD3DRD2OPRM1OPRK1
SCHEMBL8705132 0.74 DRD4 (0.83) DRD4DRD3DRD2PARP1OPRM1
SCHEMBL5752080 0.74 MEN1 (0.58) DRD4DRD3DRD2PARP1OPRM1
SCHEMBL10371700 0.72 SIGMAR1 (0.54) DRD4DRD3DRD2PARP1MAPK1
SCHEMBL8300847 0.72 PARP1 (0.39) DRD4DRD3DRD2PARP1OPRM1
SCHEMBL8426843 0.72 KDM4E (0.49) DRD4DRD3DRD2ABCB1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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 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.