SCHEMBL5281926

SCHEMBL5281926

COc1cc(CC(=O)OC(C)(C)C)ccc1N(C(N)=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
ALOX5 P09917 1/20 0.37
POLB P06746 1/20 0.37
ABL1 P00519 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
SCHEMBL6037550 0.87 MTNR1A (0.50) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C19
SCHEMBL5273127 0.86 GAA (0.52) CYP1A2CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL27559070 0.81 CYP3A4 (0.40) CYP1A2CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL5273424 0.81 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL5275844 0.79 CYP1A2 (0.43) CYP1A2CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL8619632 0.78 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19ALDH1A1LMNA
SCHEMBL10728332 0.78 MTNR1A (0.74) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C19
SCHEMBL7244019 0.76 TSHR (0.44) ALDH1A1LMNAMAPTKMT2AACHE
SCHEMBL7425744 0.75 GAA (0.50) CYP1A2CYP3A4CYP2C19ALDH1A1GAA
SCHEMBL221652 0.74 MTNR1A (0.58) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842196-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2007-11-21 EP disclosed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 US disclosed
US-6875743-B1 Cell adhesion inhibitors BIOGEN, INC. (US) 2005-04-05 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-6596687-B1 For treatment of many inflammatory and autoimmune diseases BIOGEN, INC. 2003-07-22 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
US-6248713-B1 OLIGOPEPTIDE FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BIOGEN, INC. 2001-06-19 US disclosed
US-6239108-B1 Cell adhesion inhibitors BIOGEN, INC. 2001-05-29 US disclosed
EP-0842196-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1998-05-20 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1997003094-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-01-30 WO 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 2117/4885CYP1A2 4565/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MTNR1A 3249/4885MTNR1B 2117/4885CYP1A2 4565/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MTNR1A 3249/4885MTNR1B 2117/4885CYP1A2 4565/4885

“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.