SCHEMBL6591900

SCHEMBL6591900

Brc1ccc2[nH]cc(CCCN3CCN(c4ccccc4Oc4ccccc4)CC3)c2c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.66
HTR7 P34969 8/20 0.66
KCNH2 Q12809 6/20 0.66
SLC6A4 P31645 4/20 0.66
MPO P05164 1/20 0.59
ADRA1A P35348 1/20 0.58
HTR6 P50406 2/20 0.58

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
SCHEMBL6589839 0.90 HTR1A (0.80) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL6589115 0.89 HTR1A (0.72) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL6590285 0.89 KCNH2 (0.69) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL6588692 0.89 KCNH2 (0.69) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL6587501 0.89 HTR1A (0.66) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL6591742 0.89 HTR1A (0.59) HTR1AHTR7KCNH2SLC6A4
SCHEMBL6591458 0.89 HTR1A (0.67) HTR1AHTR7KCNH2SLC6A4
SCHEMBL6589957 0.88 HTR1A (0.56) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL6591451 0.88 HTR1A (0.66) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL6591358 0.87 HTR1A (0.70) HTR1AHTR7KCNH2SLC6A4HTR6

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-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-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-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 HTR1A 2/4885HTR7 7/4885KCNH2 391/4885
US-20030040639-A1 Method for the preparation of substituted benzene derivatives SCLY, CBR3, TST HTR1A 3727/4885HTR7 1971/4885KCNH2 1646/4885

“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.