SCHEMBL4371773

SCHEMBL4371773

O=C(CC1CCNCC1)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
SMYD3 Q9H7B4 2/20 0.45
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NAMPT P43490 1/20 0.41
GNAI3 P08754 1/20 0.41
GNAO1 P09471 1/20 0.41
GNAI1 P63096 1/20 0.41
KDM1A O60341 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL19495597 0.87 L3MBTL1 (0.53) L3MBTL1ALOX15TSHRHSD17B10NAMPT
SCHEMBL16645175 0.86 DDB1 (0.47) L3MBTL1SMYD3ITGB3ITGA2BALOX15
SCHEMBL11496439 0.85 DDB1 (0.51) SMYD3ITGB3ITGA2BNAMPTGNAI3
SCHEMBL13812236 0.84 ITGB3 (0.46) SMYD3ITGB3ITGA2BTSHRNAMPT
SCHEMBL3459102 0.83 ITGB3 (0.55) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL30364152 0.82 CA2 (0.47) SMYD3ITGB3ITGA2BTSHRNAMPT
SCHEMBL3951057 0.82 ALDH1A1 (0.49) L3MBTL1ALOX15TSHRHSD17B10NAMPT
SCHEMBL18497606 0.82 L3MBTL1 (0.48) L3MBTL1ALOX15TSHRHSD17B10KDM4E
SCHEMBL10257290 0.81 DDB1 (0.43) L3MBTL1SMYD3NAMPTDDB1CRBN
SCHEMBL4649927 0.81 ITGB3 (0.48) SMYD3ITGB3ITGA2BNAMPTGNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 US disclosed
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 US disclosed
US-7547722-B2 Chemical compounds ASTRAZENECA AB (SE) 2009-06-16 US disclosed
EP-1543012-B1 6H-THIEN 2, 3-B]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-07-16 EP disclosed
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-7268158-B2 6H-THIENO [2,3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2007-09-11 US disclosed
US-7132442-B2 6H-thieno[2, 3-b]pyrrole derivatives as antagonists of gonadotropin releasing hormone (GnRH) ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20060235067-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2006-10-19 US disclosed
US-20060004082-A1 6H-thieno'2, 3-b!pyrrole derivatives as antagonists of gonadotropin releasing hormone (gnrh) ASTRAZENECA (SE) 2006-01-05 US disclosed
EP-1543012-A1 6H-THIEN 2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) AstraZeneca AB (SE) 2005-06-22 EP disclosed
WO-2004018480-A1 6H-THIENO`2, 3-B!PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) ASTRAZENECA AB (SE) 2004-03-04 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 (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-20060004082-A1 6H-thieno'2, 3-b!pyrrole derivatives as antagonists of gonadotropin releasing hormone (gnrh) GNRHR, PRLHR, GHRHR L3MBTL1 4182/4885SMYD3 2231/4885ITGB3 4708/4885
US-20080045517-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR L3MBTL1 4412/4885SMYD3 2247/4885ITGB3 4734/4885
US-20060235067-A1 6H-THIENO[2,3-b]PYRROLE DERIVATIVES AS ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE (GNRH) GNRHR, PRLHR, GHRHR L3MBTL1 4412/4885SMYD3 2247/4885ITGB3 4734/4885

“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.