SCHEMBL6580350

SCHEMBL6580350

O=C1CCc2ccccc2N1CCCN1CCC(c2ccc3[nH]ccc3c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 19/20 1.00
DRD2 P14416 15/20 1.00
KCNH2 Q12809 2/20 1.00
CHRM2 P08172 17/20 0.68
CHRM4 P08173 17/20 0.68
CHRM5 P08912 17/20 0.68
CHRM3 P20309 17/20 0.68
DRD4 P21917 13/20 0.68
DRD3 P35462 13/20 0.68
ADRB2 P07550 3/20 0.55
ADRB1 P08588 3/20 0.55
ADRA1D P25100 3/20 0.55
ADRA1A P35348 3/20 0.55
ADRA1B P35368 3/20 0.55
HTR7 P34969 1/20 0.53

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
SCHEMBL6577992 0.83 DRD2 (0.70) CHRM1DRD2KCNH2CHRM2CHRM4
SCHEMBL6580566 0.81 DRD2 (0.68) CHRM1DRD2KCNH2CHRM2CHRM4
SCHEMBL6580439 0.78 DRD2 (0.64) CHRM1DRD2KCNH2CHRM2CHRM4
SCHEMBL6580501 0.78 DRD2 (0.68) CHRM1DRD2KCNH2CHRM2CHRM4
SCHEMBL6580634 0.77 DRD2 (0.62) CHRM1DRD2KCNH2CHRM2CHRM4
SCHEMBL6578149 0.76 GRIN1 (0.66) CHRM1DRD2KCNH2CHRM2CHRM4
SCHEMBL5396144 0.75 HTR1A (0.66) CHRM1DRD2KCNH2CHRM2CHRM4
SCHEMBL5380399 0.75 DRD2 (0.60) CHRM1DRD2KCNH2CHRM2CHRM4
SCHEMBL4235731 0.75 CHRM1 (0.77) CHRM1DRD2CHRM2CHRM4CHRM5
SCHEMBL5388161 0.73 DRD2 (0.58) CHRM1DRD2KCNH2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299380-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2004-06-09 EP disclosed
US-20030232822-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DE) 2003-12-18 US disclosed
EP-1299380-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-04-09 EP disclosed
WO-2002000645-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2002-01-03 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-20030232822-A1 Indole derivatives useful for the treatment of CNS disorders CHRM1, TPH1, CHRNA6 CHRM1 1/4885DRD2 162/4885KCNH2 345/4885

“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.