SCHEMBL5851744

SCHEMBL5851744

COC(=O)C(C)c1ccc2c(c1)C(N)CC2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.48
MT-CO2 P00403 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SMYD3 Q9H7B4 1/20 0.39
NQO2 P16083 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL20840965 0.78 ACHE (0.44) ACHE
Hydrochloric Acid SCHEMBL10405724 0.75 MT-CO2 (0.43) ACHEMT-CO2PTGS1PTGS2SMYD3
SCHEMBL877948 0.75 ACHE (0.67) ACHENQO2MTNR1AMTNR1B
SCHEMBL484305 0.74 ACHE (0.52) ACHE
SCHEMBL484845 0.74 ACHE (0.52) ACHE
SCHEMBL803160 0.74 ACHE (0.52) ACHE
Hydrochloric Acid SCHEMBL484306 0.73 ACHE (0.54) ACHE
Hydrochloric Acid SCHEMBL27856384 0.73 ACHE (0.54) ACHE
SCHEMBL11535068 0.71 PTGS2 (0.48) MT-CO2PTGS1PTGS2MTNR1AMTNR1B
SCHEMBL13131615 0.71 ACHE (0.52) ACHEMTNR1A

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 10 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-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 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

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 ACHE 2337/4885MT-CO2 4885/4885PTGS1 355/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ACHE 2337/4885MT-CO2 4885/4885PTGS1 355/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ACHE 2337/4885MT-CO2 4885/4885PTGS1 355/4885

“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.