SCHEMBL5356984

SCHEMBL5356984

O=C1c2ccccc2CCCC1CN1CCCCC1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.72
SIGMAR1 Q99720 5/20 0.71
HTR1A P08908 2/20 0.62
ACHE P22303 3/20 0.56
HTR7 P34969 2/20 0.54
HTR2C P28335 2/20 0.49
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL30423421 0.93 METAP1 (0.74) METAP1SIGMAR1HTR1AACHEHTR2C
Hydrochloric Acid SCHEMBL29583950 0.91 METAP1 (0.74) METAP1SIGMAR1HTR1AACHEHTR2C
SCHEMBL5471012 0.84 METAP1 (1.00) METAP1SIGMAR1HTR1AACHEHTR7
SCHEMBL11633828 0.79 HTR2C (0.72) SIGMAR1HTR1AHTR2CDRD2HTR2A
SCHEMBL27646285 0.79 SIGMAR1 (0.68) METAP1SIGMAR1HTR1AACHEHTR2C
SCHEMBL15700140 0.77 ACHE (0.56) METAP1SIGMAR1HTR1AACHEHTR7
SCHEMBL6492064 0.77 SIGMAR1 (0.70) METAP1SIGMAR1HTR1AACHEHTR2C
SCHEMBL10033952 0.76 SIGMAR1 (0.70) SIGMAR1HTR1AACHEHTR7
SCHEMBL11727341 0.76 SIGMAR1 (0.63) METAP1SIGMAR1HTR1AACHE
Hydrochloric Acid SCHEMBL11736949 0.75 SIGMAR1 (0.62) METAP1SIGMAR1HTR1AACHE

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
US-7223867-B2 Preparation of benzosuberonylpiperidine compounds GLAXOSMITHKLINE S.P.A. (IT) 2007-05-29 US disclosed
US-20050059700-A1 Preparation of benzosuberonylpiperidine compounds GLAXOSMITHLINE S.P.A. (IT) 2005-03-17 US disclosed
EP-1442017-A1 PREPARATION OF BENZOSUBERONYLPIPERIDINE COMPOUNDS GlaxoSmithKline S.p.A. (IT) 2004-08-04 EP disclosed
WO-2003040099-A1 PREPARATION OF BENZOSUBERONYLPIPERIDINE COMPOUNDS GLAXOSMITHKLINE S.P.A. (IT) 2003-05-15 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-20050059700-A1 Preparation of benzosuberonylpiperidine compounds CYP2S1, COX6C, CYC1 METAP1 1130/4885SIGMAR1 219/4885HTR1A 63/4885

“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.