SCHEMBL6590633

SCHEMBL6590633

COc1cccc(Oc2ccccc2N2CCN(CCCc3c[nH]c4cc(Cl)ccc34)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.59
HTR1A P08908 8/20 0.58
KCNH2 Q12809 4/20 0.58
SLC6A4 P31645 2/20 0.58
HTR7 P34969 2/20 0.58
HTR6 P50406 2/20 0.57
HTR2A P28223 2/20 0.53

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
SCHEMBL7542559 0.94 HTR1A (0.57) DRD2HTR1AKCNH2SLC6A4HTR7
SCHEMBL6592471 0.93 KCNH2 (0.65) DRD2HTR1AKCNH2SLC6A4HTR7
SCHEMBL6592114 0.90 HTR1A (0.67) DRD2HTR1AKCNH2SLC6A4HTR7
SCHEMBL6591974 0.90 HTR1A (0.64) DRD2HTR1AKCNH2SLC6A4HTR7
SCHEMBL7697547 0.88 DRD2 (0.58) DRD2HTR1AKCNH2SLC6A4HTR7
SCHEMBL9371054 0.87 HTR1A (0.67) DRD2HTR1AKCNH2SLC6A4HTR7
SCHEMBL6592081 0.86 DRD2 (0.63) DRD2HTR1AKCNH2SLC6A4HTR7
SCHEMBL6587253 0.86 KCNH2 (0.58) DRD2HTR1AKCNH2SLC6A4HTR7
SCHEMBL6590722 0.85 DRD2 (0.69) DRD2HTR1AKCNH2SLC6A4HTR7
SCHEMBL6592490 0.84 KCNH2 (0.56) DRD2HTR1AKCNH2SLC6A4HTR7

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
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
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
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
WO-2001049678-A1 SUBSTITUTED PHENYL-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND USE 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 (1 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 DRD2 56/4885HTR1A 2/4885KCNH2 391/4885

“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.