SCHEMBL6037558

SCHEMBL6037558

COc1cccc(CC(=O)OC(C)(C)C)c1NC(N)=O.Cc1cc2ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 5/20 0.45
▸ MTNR1B P49286 5/20 0.45
▸ NR3C2 P08235 2/20 0.39
▸ PDE4D Q08499 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ CBX7 O95931 1/20 0.35
▸ ICMT O60725 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ANO1 Q5XXA6 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ SUCNR1 Q9BXA5 1/20 0.34
▸ HTR1D P28221 1/20 0.33

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
SCHEMBL5281937 0.90 MTNR1A (0.49) MTNR1AMTNR1BNR3C2L3MBTL1TDP1
SCHEMBL5852133 0.86 SUCNR1 (0.44) NR3C2PDE4DCBX7SUCNR1
SCHEMBL5273139 0.74 NR3C2 (0.45) NR3C2L3MBTL1KDM4EMAPT
SCHEMBL28829529 0.71 CYP3A4 (0.41) MTNR1AMTNR1BL3MBTL1CYP3A4MAPT
SCHEMBL16410344 0.70 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1TDP1KDM4E
SCHEMBL27365553 0.70 MTNR1A (0.59) MTNR1AMTNR1BL3MBTL1TDP1KDM4E
SCHEMBL31582834 0.68 MTNR1A (0.51) MTNR1AMTNR1BL3MBTL1TDP1KDM4E
SCHEMBL1440034 0.68 ALDH1A1 (0.53) NR3C2L3MBTL1CBX7MAPTRXFP1
SCHEMBL19701769 0.67 NLRP3 (0.46) KDM4E
SCHEMBL31583053 0.67 MTNR1A (0.47) MTNR1AMTNR1BL3MBTL1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 — — US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 — — US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 — — US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 — — US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 — — US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 — — EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 — — US disclosed
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 — — US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 — — EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 — — EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 — — 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MTNR1A 3249/4885MTNR1B 2117/4885NR3C2 3128/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MTNR1A 3249/4885MTNR1B 2117/4885NR3C2 3128/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MTNR1A 3249/4885MTNR1B 2117/4885NR3C2 3128/4885

“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.

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