SCHEMBL6037550

SCHEMBL6037550

COc1cc(CC(=O)OC(C)(C)C)ccc1N(C(N)=O)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.50
MTNR1B P49286 5/20 0.50
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
ALDH1A1 P00352 3/20 0.38
PTGER1 P34995 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
ALOX5 P09917 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL5281926 0.87 MTNR1A (0.49) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C19
SCHEMBL5155305 0.85 GAA (0.49) CYP1A2CYP3A4CYP2C19TDP1ALDH1A1
SCHEMBL6210311 0.83 L3MBTL1 (0.41) CYP1A2CYP3A4CYP2C19ATMTDP1
SCHEMBL27495785 0.82 PTGER1 (0.41) CYP1A2CYP3A4CYP2C19ATML3MBTL1
SCHEMBL6208577 0.80 FFAR1 (0.35) MTNR1AMTNR1BALDH1A1LMNAPOLB
SCHEMBL8790904 0.78 MEN1 (0.43) L3MBTL1ALDH1A1PTGER1LMNAMAPT
SCHEMBL6964628 0.77 GAA (0.46) CYP1A2CYP3A4CYP2C19TDP1ALDH1A1
SCHEMBL10728332 0.76 MTNR1A (0.74) MTNR1AMTNR1BCYP1A2CYP3A4CYP2C19
SCHEMBL6209590 0.74 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19ATMTDP1
SCHEMBL6234919 0.73 GAA (0.48) CYP1A2CYP3A4CYP2C19TDP1ABL1

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 2117/4885CYP1A2 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.