SCHEMBL5401428

SCHEMBL5401428

O=C(CCCN1CCC(c2c[nH]c3cccc(Cl)c23)CC1)N1CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.44
CCR2 P41597 3/20 0.44
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1D P25100 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL5397140 0.95 ALDH1A1 (0.48) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL5389421 0.90 ALDH1A1 (0.47) ALDH1A1MAPTLMNANPSR1TSHR
SCHEMBL5405266 0.86 OPRM1 (0.51) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL5387701 0.84 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHTR2AHTR7
SCHEMBL5394671 0.84 OPRM1 (0.53) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL5388923 0.84 OPRM1 (0.50) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL5384891 0.83 ADRA1D (0.47) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL5389020 0.83 OPRM1 (0.49) ALDH1A1MAPTLMNANPSR1HPGD
SCHEMBL5384956 0.81 CCR2 (0.47) CCR2ADRA1D
SCHEMBL5380731 0.81 MAPT (0.49) MAPTLMNANPSR1HPGDCCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1468996-B1 Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2007-09-26 EP claimed
US-6890916-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-05-10 US claimed
EP-1468996-A1 Indole derivatives for the treatment of CNS disorders H. Lundbeck A/S (DK) 2004-10-20 EP claimed
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-10-09 US claimed
EP-1294710-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-03-26 EP claimed
WO-2001096328-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2001-12-20 WO claimed
US-7276508-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2007-10-02 US disclosed
US-20050176729-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-08-11 US disclosed
EP-1294710-B1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS LUNDBECK & CO AS H (DK) 2005-06-08 EP disclosed
US-6890916-B2 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2005-05-10 US disclosed
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-10-09 US disclosed
EP-1294710-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2003-03-26 EP disclosed
WO-2001096328-A1 INDOLE DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS H. LUNDBECK A/S (DK) 2001-12-20 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-20050176729-A1 Indole derivatives useful for the treatment of CNS disorders HTR4, TPH1, SLC6A3 ALDH1A1 1325/4885MAPT 780/4885LMNA 4628/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 ALDH1A1 2049/4885MAPT 1601/4885LMNA 2672/4885

“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.