SCHEMBL5751261

SCHEMBL5751261

O=C(O)CCCCC1CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.69
ITGA2B P08514 6/20 0.69
KDM5A P29375 4/20 0.49
PHF8 Q9UPP1 4/20 0.49
KDM2A Q9Y2K7 4/20 0.49
KDM4C Q9H3R0 3/20 0.49
KDM7A Q6ZMT4 1/20 0.49
SLC6A1 P30531 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRB2 P47870 2/20 0.47
SLC6A12 P48065 2/20 0.47
SLC6A11 P48066 2/20 0.47
SLC6A13 Q9NSD5 2/20 0.47
GABRA1 P14867 1/20 0.47
GABRR1 P24046 1/20 0.47
GABRA4 P48169 1/20 0.47
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
KDM4A O75164 1/20 0.45

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
SCHEMBL17440475 0.98 ITGB3 (0.67) ITGB3ITGA2BKDM5APHF8KDM2A
Hydrochloric Acid SCHEMBL29119874 0.96 ITGB3 (0.65) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL381083 0.94 ITGB3 (0.66) ITGB3ITGA2BKDM5APHF8KDM2A
Hydrochloric Acid SCHEMBL1532653 0.92 ITGB3 (0.64) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL23909396 0.91 ITGB3 (0.60) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL26547233 0.89 SLC6A1 (0.58) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL4016447 0.88 ITGB3 (0.55) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL11844776 0.87 SLC6A1 (0.56) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL5501220 0.87 ITGB3 (0.59) ITGB3ITGA2BKDM5APHF8KDM2A
SCHEMBL954535 0.85 ITGB3 (0.56) ITGB3ITGA2BSLC6A1GABRA5GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153801-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-06-26 US disclosed
US-20080153801-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-06-26 US disclosed
US-20070117787-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-05-24 US disclosed
US-20070117787-A1 Benzoxazepine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-05-24 US disclosed
EP-1718635-A1 PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-08 EP disclosed
WO-2005082889-A1 PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-09 WO disclosed
EP-1539739-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-15 EP disclosed
WO-2004020435-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA N.V. (BE) 2004-03-11 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 (2 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-20070117787-A1 Benzoxazepine compounds, their production and use NR1H2, APOB, CETP ITGB3 4830/4885ITGA2B 4719/4885KDM5A 601/4885
US-20080153801-A1 Benzoxazepine compounds, their production and use CETP, PCSK9, LPL ITGB3 4789/4885ITGA2B 4717/4885KDM5A 1602/4885

“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.