SCHEMBL6587253

SCHEMBL6587253

Clc1ccc2c(CCN3CCN(c4ccccc4Oc4ccccc4)CC3)c[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.58
HTR6 P50406 5/20 0.58
DRD2 P14416 3/20 0.54
HTR1A P08908 6/20 0.52
HTR7 P34969 6/20 0.52
SLC6A4 P31645 2/20 0.51
DRD4 P21917 1/20 0.47
DRD3 P35462 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
SCHEMBL6592086 0.89 KCNH2 (0.53) KCNH2HTR6DRD2HTR1AHTR7
SCHEMBL6592490 0.89 KCNH2 (0.56) KCNH2HTR6DRD2HTR1AHTR7
SCHEMBL6588037 0.88 DRD2 (0.56) KCNH2HTR6DRD2HTR1AHTR7
SCHEMBL6588692 0.87 KCNH2 (0.69) KCNH2HTR6DRD2HTR1AHTR7
SCHEMBL6590633 0.86 DRD2 (0.59) KCNH2HTR6DRD2HTR1AHTR7
SCHEMBL6592081 0.83 DRD2 (0.63) KCNH2HTR6DRD2HTR1AHTR7
SCHEMBL6591974 0.83 HTR1A (0.64) KCNH2HTR6DRD2HTR1AHTR7
SCHEMBL6590722 0.82 DRD2 (0.69) KCNH2HTR6DRD2HTR1AHTR7
SCHEMBL6591451 0.82 HTR1A (0.66) KCNH2DRD2HTR1AHTR7SLC6A4
SCHEMBL9371054 0.82 HTR1A (0.67) KCNH2HTR6DRD2HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1230432-C Substituted phenyl-Piperazine derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2005-12-07 CN claimed
EP-1246816-B1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-03-17 EP claimed
US-6699864-B2 SERATONIN REUPTAKE INHIBITORS POTENTLY BINDING TO THE 5-HT1A RECEPTOR, DOPAMINERGIC AGENTS; ANTIDEPRESSANTS, PSYCHOSIS, ANXIOLYTIC AND ANTIISCHEMIC AGENTS; PANIC ORDER; OBSESSIVE COMPULSIVE DISORDER, IMPULSE CONTROL DISORDER, ALCOHOL ABUSE H. LUNDBECK A/S (DK) 2004-03-02 US claimed
CN-1437597-A Substituted phenyl-Piperazine derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2003-08-20 CN claimed
US-20030125320-A1 Substituted phenyl-piperazine derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-07-03 US claimed
WO-2001049678-A9 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2002-10-10 WO claimed
EP-1246816-A1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2002-10-09 EP claimed
WO-2001049678-A1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO claimed
CN-1230432-C Substituted phenyl-Piperazine derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2005-12-07 CN disclosed
EP-1246816-B1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-03-17 EP disclosed
US-6699864-B2 SERATONIN REUPTAKE INHIBITORS POTENTLY BINDING TO THE 5-HT1A RECEPTOR, DOPAMINERGIC AGENTS; ANTIDEPRESSANTS, PSYCHOSIS, ANXIOLYTIC AND ANTIISCHEMIC AGENTS; PANIC ORDER; OBSESSIVE COMPULSIVE DISORDER, IMPULSE CONTROL DISORDER, ALCOHOL ABUSE H. LUNDBECK A/S (DK) 2004-03-02 US disclosed
CN-1437597-A Substituted phenyl-Piperazine derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2003-08-20 CN disclosed
US-20030125320-A1 Substituted phenyl-piperazine derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-07-03 US disclosed
US-20030040639-A1 Method for the preparation of substituted benzene derivatives H. LUNDBECK A/S (DK) 2003-02-27 US disclosed
WO-2001049678-A9 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2002-10-10 WO disclosed
EP-1246816-A1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. Lundbeck A/S (DK) 2002-10-09 EP disclosed
EP-1246819-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. Lundbeck A/S (DK) 2002-10-09 EP disclosed
WO-2001049678-A1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO disclosed
WO-2001049681-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 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-20030125320-A1 Substituted phenyl-piperazine derivatives, their preparation and use HTR5A, HTR1A, HTR1D KCNH2 391/4885HTR6 22/4885DRD2 56/4885
US-20030040639-A1 Method for the preparation of substituted benzene derivatives SCLY, CBR3, TST KCNH2 1646/4885HTR6 2074/4885DRD2 1490/4885

“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.