SCHEMBL6583518

SCHEMBL6583518

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

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.69
HTR6 P50406 6/20 0.69
HTR1A P08908 6/20 0.59
SLC6A4 P31645 1/20 0.59
HTR7 P34969 1/20 0.59
DRD2 P14416 3/20 0.56
HTR2A P28223 1/20 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
SCHEMBL6582441 0.91 HTR1A (0.72) KCNH2HTR6HTR1ASLC6A4HTR7
SCHEMBL6591075 0.85 HTR1A (0.70) KCNH2HTR6HTR1ASLC6A4HTR7
SCHEMBL6583045 0.85 KCNH2 (0.68) KCNH2HTR6HTR1ASLC6A4HTR7
SCHEMBL6584408 0.84 KCNH2 (0.66) KCNH2HTR6HTR1ASLC6A4HTR7
SCHEMBL6592471 0.84 KCNH2 (0.65) KCNH2HTR6HTR1ASLC6A4HTR7
SCHEMBL6591125 0.83 HTR1A (0.72) KCNH2HTR6HTR1ASLC6A4HTR7
SCHEMBL6591458 0.83 HTR1A (0.67) KCNH2HTR1ASLC6A4HTR7DRD2
SCHEMBL6580844 0.82 KCNH2 (0.64) KCNH2HTR6HTR1ASLC6A4HTR7
SCHEMBL6580434 0.82 KCNH2 (0.63) KCNH2HTR6HTR1ASLC6A4HTR7
SCHEMBL6588692 0.81 KCNH2 (0.69) KCNH2HTR6HTR1ASLC6A4HTR7

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-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 KCNH2 341/4885HTR6 72/4885HTR1A 24/4885
US-20030040639-A1 Method for the preparation of substituted benzene derivatives SCLY, CBR3, TST KCNH2 1646/4885HTR6 2074/4885HTR1A 3727/4885

“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.