SCHEMBL6582441

SCHEMBL6582441

COc1cc(Oc2cccc(N3CCN(CCCc4c[nH]c5ccc(F)cc45)CC3)c2C)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.72
HTR7 P34969 9/20 0.72
KCNH2 Q12809 7/20 0.72
SLC6A4 P31645 4/20 0.72
HTR6 P50406 3/20 0.68
DRD2 P14416 1/20 0.57
MPO P05164 1/20 0.56
ADRA1A P35348 1/20 0.56

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
SCHEMBL6583518 0.91 KCNH2 (0.69) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL6594438 0.85 HTR1A (0.86) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL6580870 0.85 KCNH2 (0.67) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL6582722 0.85 KCNH2 (0.67) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL6580436 0.84 KCNH2 (0.66) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL6591458 0.84 HTR1A (0.67) HTR1AHTR7KCNH2SLC6A4DRD2
SCHEMBL6589735 0.83 HTR1A (0.89) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL9368593 0.83 HTR1A (0.92) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL6582451 0.82 KCNH2 (0.64) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL6584644 0.82 KCNH2 (0.63) 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 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-1246819-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. Lundbeck A/S (DK) 2002-10-09 EP disclosed
EP-1246815-A1 PHENYLPIPERAZINYL DERIVATIVES H. Lundbeck A/S (DK) 2002-10-09 EP disclosed
WO-2001049681-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 WO disclosed
WO-2001049677-A1 PHENYLPIPERAZINYL 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 HTR1A 24/4885HTR7 50/4885KCNH2 341/4885
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.