SCHEMBL6589957

SCHEMBL6589957

Brc1ccc2[nH]cc(CCCN3CCN(c4ccccc4Oc4cccc(N5CCOCC5)c4)CC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.56
SLC6A4 P31645 3/20 0.55
MPO P05164 1/20 0.55
HTR7 P34969 4/20 0.55
KCNH2 Q12809 4/20 0.55
DRD2 P14416 2/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR6 P50406 2/20 0.49

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
SCHEMBL6588011 0.91 SLC6A4 (0.68) HTR1ASLC6A4MPOHTR7KCNH2
SCHEMBL6591148 0.91 SLC6A4 (0.56) HTR1ASLC6A4MPOHTR7KCNH2
SCHEMBL6591959 0.91 DRD2 (0.60) HTR1ASLC6A4MPOHTR7KCNH2
SCHEMBL6591900 0.88 HTR1A (0.66) HTR1ASLC6A4MPOHTR7KCNH2
SCHEMBL6591742 0.85 HTR1A (0.59) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL6582422 0.82 KCNH2 (0.62) HTR1ASLC6A4MPOHTR7KCNH2
SCHEMBL6591358 0.82 HTR1A (0.70) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL6589115 0.81 HTR1A (0.72) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL6591458 0.81 HTR1A (0.67) HTR1ASLC6A4HTR7KCNH2DRD2
SCHEMBL6587501 0.80 HTR1A (0.66) HTR1ASLC6A4MPOHTR7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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-1246819-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. Lundbeck A/S (DK) 2002-10-09 EP disclosed
EP-1246816-A1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE 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 HTR1A 2/4885SLC6A4 100/4885MPO 2652/4885
US-20030040639-A1 Method for the preparation of substituted benzene derivatives SCLY, CBR3, TST HTR1A 3727/4885SLC6A4 1494/4885MPO 119/4885

“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.