SCHEMBL6592113

SCHEMBL6592113

c1ccc(N2CCN(CCc3c[nH]c4ccccc34)CC2)c(Oc2ccc3c(c2)OCO3)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.59
HTR1A P08908 4/20 0.55
ADRA1D P25100 3/20 0.52
ADRA1A P35348 3/20 0.52
ADRA1B P35368 3/20 0.52
HTR2A P28223 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
HTR7 P34969 2/20 0.49
SLC6A4 P31645 1/20 0.49
KCNH2 Q12809 1/20 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
SCHEMBL6593331 0.94 DRD2 (0.60) DRD2HTR1AHTR7SLC6A4KCNH2
SCHEMBL6589455 0.94 HTR1A (0.64) DRD2HTR1AHTR7SLC6A4KCNH2
SCHEMBL6588037 0.90 DRD2 (0.56) DRD2HTR1AADRA1DADRA1AADRA1B
SCHEMBL6593130 0.90 DRD2 (0.67) DRD2HTR1AHTR7SLC6A4KCNH2
SCHEMBL6582347 0.87 DRD2 (0.58) DRD2HTR1AHTR7SLC6A4KCNH2
SCHEMBL6593377 0.86 HTR1A (0.70) DRD2HTR1AADRA1AHTR7SLC6A4
SCHEMBL6594073 0.85 DRD2 (0.63) DRD2HTR1AHTR7SLC6A4KCNH2
SCHEMBL6589609 0.85 DRD2 (0.63) DRD2HTR1AHTR2AHTR7SLC6A4
SCHEMBL6589620 0.85 HTR1A (0.57) DRD2HTR1AHTR7SLC6A4KCNH2
SCHEMBL6591742 0.85 HTR1A (0.59) DRD2HTR1AHTR7SLC6A4KCNH2

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 6 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 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 2/4885ADRA1D 39/4885

“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.