SCHEMBL5115850

SCHEMBL5115850

NC(=O)CCCC1CCN(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
HDAC3 O15379 5/20 0.44
HDAC4 P56524 5/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC2 Q92769 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC9 Q9UKV0 5/20 0.44
HDAC5 Q9UQL6 5/20 0.44
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
FAAH O00519 5/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37

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
Acetic Acid SCHEMBL1772702 0.84 ITGB3 (0.40) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL5013505 0.84 ITGB3 (0.41) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL3405222 0.83 CHRM1 (0.44) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL3980000 0.81 SIGMAR1 (0.47) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL1840437 0.81 ITGB3 (0.44) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL4929039 0.81 HDAC3 (0.66) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL2211491 0.80
SCHEMBL1479904 0.79 GNAI3 (0.50) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL19834800 0.79 ITGB3 (0.43) ITGB3ITGA2BHDAC3HDAC4HDAC1
SCHEMBL193932 0.79 ITGB3 (0.43) ITGB3ITGA2BHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 EP 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 (3 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ITGB3 3808/4885ITGA2B 2817/4885HDAC3 496/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ITGB3 3808/4885ITGA2B 2817/4885HDAC3 496/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 ITGB3 3808/4885ITGA2B 2817/4885HDAC3 496/4885

“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.