SCHEMBL5037533

SCHEMBL5037533

c1ccc(N2CCNCC2OCC2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.50
SLC6A4 P31645 5/20 0.50
SLC6A3 Q01959 5/20 0.50
ADRB1 P08588 3/20 0.39
HTR2C P28335 6/20 0.38
HTR2B P41595 6/20 0.38
KCNH2 Q12809 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR2A P28223 3/20 0.36
SLC18A3 Q16572 1/20 0.35
MELK Q14680 1/20 0.34

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
SCHEMBL2721007 0.82 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3ADRB1HTR2C
SCHEMBL8550985 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ADRB1HTR2C
SCHEMBL644545 0.79 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ADRB1HTR2C
SCHEMBL6028221 0.78 CHRNB2 (0.41) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL28025658 0.78 MBTD1 (0.36) SLC18A3
Bromide SCHEMBL27797303 0.77 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ADRB1HTR2C
Hydrochloric Acid SCHEMBL5793498 0.77 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ADRB1HTR2C
SCHEMBL15974677 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ADRB1HTR2C
SCHEMBL8780409 0.76 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ADRB1HTR2C
SCHEMBL5506036 0.74 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3ADRB1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319099-B2 Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-01-15 US disclosed
US-20050209241-A1 Benzoyl-piperazine derivatives HOFFMANN-LA ROCHE INC. 2005-09-22 US 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-20050209241-A1 Benzoyl-piperazine derivatives SLC1A2, SLC18A2, SLC6A7 SLC6A2 13/4885SLC6A4 26/4885SLC6A3 16/4885

“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.