Sugi Predict

Sugi Predict / Compounds / SCHEMBL379433

SCHEMBL379433

SCHEMBL379433

O=C(O)C1CCC(N2CCOCC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ F10 P00742 1/20 0.38
▸ PIK3CD O00329 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ NEK2 P51955 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32

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
SCHEMBL380178 1.00 TSHR (0.41) TSHRPOLBGAAMEN1KMT2A
SCHEMBL379432 1.00 TSHR (0.41) TSHRPOLBGAAMEN1KMT2A
SCHEMBL29865291 0.86 F10 (0.38) POLBGAAMEN1KMT2AF10
SCHEMBL14191226 0.86 F10 (0.37) POLBGAAMEN1KMT2AF10
SCHEMBL2599905 0.86 F10 (0.39) POLBGAAMEN1KMT2AF10
SCHEMBL2947624 0.83 POLB (0.42) TSHRPOLBGAAMEN1KMT2A
SCHEMBL2947621 0.83 POLB (0.42) TSHRPOLBGAAMEN1KMT2A
SCHEMBL2945600 0.82 BRD4 (0.39) POLBGAAMEN1KMT2AF10
SCHEMBL2945601 0.82 BRD4 (0.39) POLBGAAMEN1KMT2AF10
SCHEMBL3448465 0.81 F10 (0.44) POLBGAAF10PIK3CDSMN1; SMN2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 — — EP claimed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 — — WO claimed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 — — EP disclosed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 — — EP disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 — — US disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 — — US disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 — — US disclosed
EP-2408767-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. Lundbeck A/S (DK) 2012-01-25 — — EP disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 — — WO disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 — — WO disclosed
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 — — US disclosed
US-20060287329-A1 Amide type carboxamide derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-12-21 — — US disclosed
CN-1860097-A Amide-type carboxamide derivative TANABE SEIYAKU CO (JP) 2006-11-08 — — CN disclosed
US-20060173188-A1 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-08-03 — — US disclosed
EP-1666455-A1 AMIDE TYPE CARBOXAMIDE DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 2006-06-07 — — EP disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 — — US disclosed
EP-1640373-A1 PROCESS FOR PRODUCING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 2006-03-29 — — EP disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 — — US disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 — — EP disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 — — 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 (5 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-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS NPY5R, NPY1R, NPY2R TSHR 212/4885POLB 4792/4885GAA 527/4885
US-20050282808-A1 Benzofuran derivative F12, F2, F11 TSHR 2485/4885POLB 1902/4885GAA 3882/4885
US-20060287329-A1 Amide type carboxamide derivative F12, F11, F13A1 TSHR 490/4885POLB 4132/4885GAA 2610/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 TSHR 3045/4885POLB 3282/4885GAA 4234/4885
US-20060173188-A1 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative F12, F3, F11 TSHR 1645/4885POLB 2550/4885GAA 1880/4885

“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.