SCHEMBL5387701

SCHEMBL5387701

O=C(CCN1CCC(c2c[nH]c3cccc(F)c23)CC1)N1CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRL1 P41146 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ATM Q13315 2/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
HTR1A P08908 1/20 0.42
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL5389421 0.95 ALDH1A1 (0.47) ALDH1A1LMNAMAPTMAPK1L3MBTL1
SCHEMBL5397140 0.90 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1L3MBTL1
SCHEMBL5401428 0.84 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHTR2AHTR7
SCHEMBL5380932 0.83 OPRM1 (0.52) ALDH1A1LMNAMAPTOPRL1HTR2A
SCHEMBL5380288 0.82 ADRA1D (0.48) ALDH1A1LMNAMAPTMAPK1OPRL1
SCHEMBL5389416 0.80 DRD2 (0.49) ALDH1A1LMNAMAPTMAPK1OPRL1
SCHEMBL5380517 0.80 HTR1F (0.48) HTR2AHTR7HTR1ADRD2
SCHEMBL5404487 0.79 ADRA1D (0.53) OPRL1HTR2AHTR7HTR1ADRD2
SCHEMBL5388941 0.78 DRD2 (0.53) HTR2AHTR7HTR1ADRD2
SCHEMBL5392366 0.78 ADRA1D (0.51) ALDH1A1LMNAMAPTMAPK1KDM4E

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
EP-1468996-B1 Indole derivatives for the treatment of CNS disorders LUNDBECK & CO AS H (DK) 2007-09-26 EP 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
EP-1468996-A1 Indole derivatives for the treatment of CNS disorders H. Lundbeck A/S (DK) 2004-10-20 EP disclosed
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders H. LUNDBECK A/S (DK) 2003-10-09 US 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 1325/4885LMNA 4628/4885MAPT 780/4885
US-20030191133-A1 Indole derivatives useful for the treatment of CNS disorders TPH1, CHRM1, TPH2 ALDH1A1 2049/4885LMNA 2672/4885MAPT 1601/4885

“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.