SCHEMBL5494841

SCHEMBL5494841

O=C(O)CCCC1CCNC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.60
GABRA5 P31644 2/20 0.60
GABRB2 P47870 2/20 0.60
SLC6A12 P48065 2/20 0.60
SLC6A11 P48066 2/20 0.60
SLC6A13 Q9NSD5 2/20 0.60
GABRA1 P14867 1/20 0.60
GABRR1 P24046 1/20 0.60
GABRA4 P48169 1/20 0.60
ITGB3 P05106 5/20 0.54
ITGA2B P08514 5/20 0.54
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.40
NAAA Q02083 1/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38

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
SCHEMBL26547233 0.94 SLC6A1 (0.58) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11844776 0.93 SLC6A1 (0.56) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5499051 0.89 KMT2A (0.55) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5499043 0.88 SLC6A1 (0.64) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL29207730 0.88 SLC6A1 (0.64) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL31370174 0.88 SLC6A1 (0.64) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL381083 0.88 ITGB3 (0.66) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL5500043 0.87 KMT2A (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL25181844 0.86 SLC6A1 (0.62) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL1532653 0.86 ITGB3 (0.64) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
EP-1753752-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP disclosed
WO-2005121133-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-22 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-20070238721-A1 Highly Selective Novel Amidation Method NAAA, CPS1, COASY SLC6A1 3877/4885GABRA5 2173/4885GABRB2 2186/4885

“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.