SCHEMBL6598537

SCHEMBL6598537

Cc1ccc(NC(=O)c2ccc(F)cc2)cc1CCN1CCC(c2c[nH]c3c(Cl)cccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.59
HTR1B P28222 11/20 0.57
CHRM2 P08172 1/20 0.57
DRD2 P14416 1/20 0.57
HTR1F P30939 4/20 0.53
HTR1A P08908 2/20 0.53
ACKR3 P25106 2/20 0.49
MAOB P27338 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 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
SCHEMBL6598134 0.94 HTR1D (0.50) HTR1DHTR1BCHRM2DRD2HTR1F
SCHEMBL6598368 0.94 HTR1D (0.50) HTR1DHTR1BCHRM2DRD2HTR1F
SCHEMBL6595053 0.93 HTR1D (0.49) HTR1DHTR1BCHRM2DRD2HTR1F
SCHEMBL6597282 0.91 HTR1D (0.48) HTR1DHTR1BCHRM2DRD2HTR1F
SCHEMBL6597692 0.91 HTR1D (0.47) HTR1DHTR1BCHRM2DRD2HTR1F
SCHEMBL27537929 0.90 HTR1D (0.58) HTR1DHTR1BCHRM2DRD2HTR1F
SCHEMBL6598430 0.90 NMT2 (0.48) HTR1DHTR1BCHRM2DRD2HTR1F
SCHEMBL6598037 0.88 HTR1D (0.44) HTR1DHTR1BCHRM2DRD2HTR1F
SCHEMBL6598005 0.87 OPRM1 (0.44) HTR1DHTR1BCHRM2DRD2OPRM1
SCHEMBL6595114 0.87 OPRM1 (0.48) HTR1DHTR1BCHRM2DRD2HTR1F

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
US-6743809-B2 Indole Derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2004-06-01 US claimed
EP-1305307-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2004-05-06 EP claimed
US-20030166664-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-09-04 US claimed
EP-1305307-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. Lundbeck A/S (DK) 2003-05-02 EP claimed
WO-2002008223-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-01-31 WO claimed
US-6743809-B2 Indole Derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2004-06-01 US disclosed
EP-1305307-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2004-05-06 EP disclosed
US-20030166664-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-09-04 US disclosed
EP-1305307-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. Lundbeck A/S (DK) 2003-05-02 EP disclosed
WO-2002008223-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-01-31 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-20030166664-A1 Indole derivatives useful for the treatment of CNS disorders DRD2, DRD3, CNR1 HTR1D 7/4885HTR1B 18/4885CHRM2 156/4885

“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.