SCHEMBL6582099

SCHEMBL6582099

Cc1c(N2CCCN(CCCc3c[nH]c4c(F)cc(F)cc34)CC2)cccc1N1CC(C)OC(C)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.50
KCNH2 Q12809 5/20 0.48
HTR6 P50406 1/20 0.48
HTR1A P08908 10/20 0.46
HTR7 P34969 10/20 0.46
SLC6A4 P31645 4/20 0.46
DRD4 P21917 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
ADRA1A P35348 1/20 0.42

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
SCHEMBL6582600 0.97 DRD2 (0.53) DRD2KCNH2HTR6HTR1AHTR7
SCHEMBL6582572 0.88 KCNH2 (0.62) DRD2KCNH2HTR6HTR1AHTR7
SCHEMBL6582782 0.84 KCNH2 (0.66) DRD2KCNH2HTR6HTR1AHTR7
SCHEMBL6584738 0.83 DRD2 (0.59) DRD2HTR1A
SCHEMBL6580477 0.80 KCNH2 (0.47) DRD2KCNH2HTR6HTR1AHTR7
SCHEMBL6580486 0.80 KCNH2 (0.47) DRD2KCNH2HTR6HTR1AHTR7
SCHEMBL6581835 0.79 KCNH2 (0.50) DRD2KCNH2HTR6HTR1AHTR7
SCHEMBL7245600 0.77 SIGMAR1 (0.43) DRD2KCNH2HTR1AHTR7SLC6A4
SCHEMBL6586104 0.76 KCNH2 (0.66) DRD2KCNH2HTR6HTR1AHTR7
SCHEMBL6582650 0.76 KCNH2 (0.53) DRD2KCNH2HTR6HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246815-B1 PHENYLPIPERAZINYL DERIVATIVES LUNDBECK & CO AS H (DK) 2004-03-17 EP disclosed
US-20030083336-A1 Phenylpiperazinyl derivatives H. LUNDBECK A/S (DK) 2003-05-01 US disclosed
US-20030040639-A1 Method for the preparation of substituted benzene derivatives H. LUNDBECK A/S (DK) 2003-02-27 US disclosed
EP-1246815-A1 PHENYLPIPERAZINYL DERIVATIVES 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-2001049677-A1 PHENYLPIPERAZINYL DERIVATIVES 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-20030083336-A1 Phenylpiperazinyl derivatives DRD4, DRD2, DRD3 DRD2 2/4885KCNH2 341/4885HTR6 72/4885
US-20030040639-A1 Method for the preparation of substituted benzene derivatives SCLY, CBR3, TST DRD2 1490/4885KCNH2 1646/4885HTR6 2074/4885

“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.