SCHEMBL5495308

SCHEMBL5495308

O=C(O)CCC1CCCNCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.50
ITGA2B P08514 14/20 0.50
KMT2A Q03164 1/20 0.46
F2R P25116 8/20 0.46
SLC6A1 P30531 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRB2 P47870 2/20 0.46
SLC6A12 P48065 2/20 0.46
SLC6A11 P48066 2/20 0.46
SLC6A13 Q9NSD5 2/20 0.46
GABRA1 P14867 1/20 0.46
GABRR1 P24046 1/20 0.46
GABRA4 P48169 1/20 0.46
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL954535 0.92 ITGB3 (0.56) ITGB3ITGA2BF2RSLC6A1GABRA5
Hydrochloric Acid SCHEMBL3159636 0.90 ITGB3 (0.54) ITGB3ITGA2BF2RSLC6A1GABRA5
SCHEMBL5501220 0.89 ITGB3 (0.59) ITGB3ITGA2BKMT2AF2RSLC6A1
Acetic Acid SCHEMBL9210574 0.86 ITGB3 (0.51) ITGB3ITGA2BF2RSLC6A1GABRA5
SCHEMBL23909396 0.86 ITGB3 (0.60) ITGB3ITGA2BF2RSLC6A1GABRA5
SCHEMBL13308548 0.85 KMT2A (0.62) KMT2ASLC6A1GABRA5GABRB2SLC6A12
SCHEMBL2525645 0.85 KMT2A (0.62) KMT2ASLC6A1GABRA5GABRB2SLC6A12
SCHEMBL13308547 0.85 KMT2A (0.62) KMT2ASLC6A1GABRA5GABRB2SLC6A12
SCHEMBL15263859 0.83 HPGD (0.50) KMT2A
Hydrochloric Acid SCHEMBL8182632 0.83 KMT2A (0.60) KMT2ASLC6A1GABRA5GABRB2SLC6A12

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 ITGB3 4773/4885ITGA2B 4439/4885KMT2A 484/4885

“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.