SCHEMBL6582893

SCHEMBL6582893

COc1cc(Oc2cccc(N3CCNCC3)c2C)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.56
HTR3A P46098 3/20 0.56
ADRB1 P08588 2/20 0.56
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56
DRD2 P14416 1/20 0.56
CYP2C19 P33261 1/20 0.56
DRD3 P35462 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
HTR7 P34969 2/20 0.52
HTR1A P08908 3/20 0.52
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL5372329 0.84 HTR6 (0.73) HTR6HTR3AADRB1HTR3EHTR3B
SCHEMBL5363594 0.78 HTR3A (0.73) HTR6HTR3AADRB1HTR3EHTR3B
SCHEMBL29786229 0.78 HTR3A (0.73) HTR6HTR3AADRB1HTR3EHTR3B
SCHEMBL6581080 0.77 HTR1A (0.54) HTR6HTR3AADRB1HTR3EHTR3B
SCHEMBL6586242 0.76 HTR1A (0.53) HTR6HTR3AADRB1HTR3EHTR3B
SCHEMBL6586238 0.75 HTR1A (0.52) HTR6HTR3AADRB1HTR3EHTR3B
SCHEMBL6586092 0.74 HTR1A (0.54) HTR6HTR3AADRB1HTR1ASLC6A2
SCHEMBL546981 0.74 HTR1A (0.71) HTR6HTR3AADRB1HTR3EHTR3B
SCHEMBL29396943 0.73 HTR3A (1.00) HTR6HTR3AADRB1HTR3EHTR3B
SCHEMBL379 0.73 HTR3A (1.00) HTR6HTR3AADRB1HTR3EHTR3B

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 4 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
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

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-20030083336-A1 Phenylpiperazinyl derivatives DRD4, DRD2, DRD3 HTR6 72/4885HTR3A 42/4885ADRB1 69/4885

“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.