SCHEMBL6582487

SCHEMBL6582487

Cc1c(N2CCNCC2)cccc1N1CC(C)OC(C)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.59
HTR6 P50406 5/20 0.46
HTR3A P46098 4/20 0.46
CYP1A2 P05177 3/20 0.46
HTR1A P08908 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
HTR7 P34969 2/20 0.45
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
NCF1 P14598 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR1D P28221 1/20 0.44

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
SCHEMBL6132413 0.89 ADRB1 (0.54) ADRB1HTR6HTR3ACYP1A2HTR1A
SCHEMBL6132420 0.89 ADRB1 (0.54) ADRB1HTR6HTR3ACYP1A2HTR1A
SCHEMBL6582194 0.78 ADRB1 (0.67) ADRB1HTR6HTR3ACYP1A2HTR1A
SCHEMBL6132417 0.76 ADRB1 (0.56) ADRB1HTR6HTR3AHTR1AHTR3E
SCHEMBL6132422 0.76 ADRB1 (0.56) ADRB1HTR6HTR3AHTR1AHTR3E
SCHEMBL29699369 0.75 ADRB1 (1.00) ADRB1HTR6HTR3ACYP1A2HTR1A
SCHEMBL218837 0.75 ADRB1 (1.00) ADRB1HTR6HTR3ACYP1A2HTR1A
Hydrochloric Acid SCHEMBL1894847 0.74 ADRB1 (0.96) ADRB1HTR6HTR3ACYP1A2HTR1A
Iodide SCHEMBL11457680 0.74 ADRB1 (0.96) ADRB1HTR6HTR3ACYP1A2HTR1A
Hydrochloric Acid SCHEMBL27850954 0.74 ADRB1 (0.96) ADRB1HTR6HTR3ACYP1A2HTR1A

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 ADRB1 69/4885HTR6 72/4885HTR3A 42/4885

“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.