SCHEMBL1135593

SCHEMBL1135593

O=C1NCCN1CCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(F)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.86
HTR1B P28222 5/20 0.86
DRD2 P14416 2/20 0.86
HTR2C P28335 2/20 0.86
HRH1 P35367 2/20 0.86
KCNH2 Q12809 2/20 0.86
MLNR O43193 1/20 0.86
CACNA1F O60840 1/20 0.86
NR1I2 O75469 1/20 0.86
ABCB11 O95342 1/20 0.86
ABCB1 P08183 1/20 0.86
ADRB1 P08588 1/20 0.86
ADRA2A P08913 1/20 0.86
ADORA3 P0DMS8 1/20 0.86
CHRM1 P11229 1/20 0.86
ADRA2B P18089 1/20 0.86
ADRA2C P18825 1/20 0.86
CHRM3 P20309 1/20 0.86
MAOA P21397 1/20 0.86
CNR1 P21554 1/20 0.86

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
SCHEMBL8642980 0.93 HTR1A (0.80) HTR1AHTR1BDRD2HTR2CHRH1
Sertindole SCHEMBL112092 0.93 KCNH2 (1.00) HTR1AHTR1BDRD2HTR2CHRH1
SCHEMBL8642590 0.93 HTR1A (0.80) HTR1AHTR1BDRD2HTR2CHRH1
Sertindole SCHEMBL29360085 0.93 KCNH2 (1.00) HTR1AHTR1BDRD2HTR2CHRH1
SCHEMBL8640337 0.93 HTR1A (0.80) HTR1AHTR1BDRD2HTR2CHRH1
Sertindole SCHEMBL28600134 0.92 KCNH2 (0.98) HTR1AHTR1BDRD2HTR2CHRH1
SCHEMBL8640470 0.92 HTR1A (0.79) HTR1AHTR1BDRD2HTR2CHRH1
SCHEMBL6581419 0.91 DRD2 (1.00) HTR1AHTR1BDRD2HTR2CHRH1
SCHEMBL8640447 0.91 HTR1A (0.78) HTR1AHTR1BDRD2HTR2CHRH1
SCHEMBL7288219 0.90 KCNH2 (1.00) HTR1AHTR1BDRD2HTR2CHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207744-A1 Method for treating cognitive deficits H. LUNDBECK A/S (DK) 2011-08-25 US disclosed
EP-2285377-A1 METHOD FOR TREATING COGNITIVE DEFICITS H. Lundbeck A/S (DK) 2011-02-23 EP disclosed
US-20090306092-A1 METHOD FOR TREATING COGNITIVE DEFICITS H. LUNDBECK A/S (DK) 2009-12-10 US disclosed
WO-2009135495-A1 METHOD FOR TREATING COGNITIVE DEFICITS H. LUNDBECK A/S (DK) 2009-11-12 WO disclosed
EP-0575430-B1 PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF ADDICTION TO DRUGS AND SUBSTANCES OF ABUSE LUNDBECK & CO AS H (DK) 1998-08-05 EP disclosed
US-5462948-A Treatment of addiction to drugs and substances of abuse H. LUNDBECK A/S (DK) 1995-10-31 US disclosed
US-5444073-A Administering 1-aryl-3-(4-piperidyl)-indole derivatives H. LUNDBECK A/S (DK) 1995-08-22 US disclosed
US-5439922-A Administering dopamine antagonists having reduced side effects H. LUNDBECK A/S (DK) 1995-08-08 US disclosed
EP-0533824-B1 PIPERIDYL-SUBSTITUTED INDOLES LUNDBECK & CO AS H (DK) 1994-11-09 EP 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-20110207744-A1 Method for treating cognitive deficits CHAT, GRIK5, SLC6A2 HTR1A 58/4885HTR1B 78/4885DRD2 320/4885
US-20090306092-A1 METHOD FOR TREATING COGNITIVE DEFICITS CHAT, GRIK5, SLC6A2 HTR1A 58/4885HTR1B 78/4885DRD2 320/4885

“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.