SCHEMBL5750019

SCHEMBL5750019

Cn1ccc2ccc(CN3CCN(c4ccc(Cl)cc4)CC3)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 2/20 0.56
DRD4 P21917 9/20 0.56
FAAH O00519 1/20 0.51
LSS P48449 1/20 0.50
DRD2 P14416 5/20 0.49
DRD3 P35462 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MCHR1 Q99705 1/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
GRM2 Q14416 1/20 0.48
HTR1A P08908 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL5750979 0.90 MAPT (0.56) KDM4EMAPTALDH1A1DRD4FAAH
SCHEMBL6030916 0.79 MAPT (0.83) KDM4EMAPTALDH1A1DRD4LSS
Hydrochloric Acid SCHEMBL6030550 0.78 MAPT (0.81) KDM4EMAPTALDH1A1DRD4LSS
SCHEMBL6031775 0.75 MAPT (0.71) KDM4EMAPTALDH1A1DRD4LSS
SCHEMBL14438080 0.75 MAPT (0.71) KDM4EMAPTALDH1A1DRD4LSS
SCHEMBL6031671 0.75 MAPT (0.71) KDM4EMAPTALDH1A1DRD4LSS
SCHEMBL5750042 0.74 MAPT (0.58) KDM4EMAPTALDH1A1DRD4FAAH
Bromide SCHEMBL6031230 0.74 MAPT (0.69) KDM4EMAPTALDH1A1DRD4LSS
SCHEMBL6230339 0.73 DRD4 (0.68) KDM4EMAPTALDH1A1DRD4DRD2
SCHEMBL5544927 0.72 MAPT (0.71) KDM4EMAPTALDH1A1DRD4LSS

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
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-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 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 KDM4E 2032/4885MAPT 2644/4885ALDH1A1 1284/4885
US-20030166665-A1 4-,5-,6-And 7-indole derivatives useful for the treatment of CNS disorders HTR3C, HTR6, SLC6A3 KDM4E 1377/4885MAPT 2343/4885ALDH1A1 974/4885

“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.