SCHEMBL3280349

SCHEMBL3280349

CC(=O)NC(C)(C)Cc1c(C(C2=C(O)C(C)(c3ccc(Cl)cc3)C2=O)c2ccccc2)[nH]c2cc(C)ccc12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
CYP19A1 P11511 3/20 0.32
MAPT P10636 1/20 0.30

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
SCHEMBL3280434 0.95 CYP19A1 (0.35) MTNR1AMTNR1BCYP19A1
SCHEMBL3284276 0.95 CYP19A1 (0.34) MTNR1AMTNR1BCYP19A1
SCHEMBL3280080 0.84 KDM4E (0.33) MTNR1AMTNR1BCYP19A1MAPT
SCHEMBL3279500 0.84 CYP19A1 (0.33) MTNR1AMTNR1BCYP19A1
SCHEMBL3284735 0.83 MTNR1A (0.37) MTNR1AMTNR1BCYP19A1MAPT
SCHEMBL3280705 0.82 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1MAPT
SCHEMBL3280740 0.81 MTNR1A (0.38) MTNR1AMTNR1BCYP19A1MAPT
SCHEMBL8202811 0.81 CYP19A1 (0.35) MTNR1AMTNR1BCYP19A1
SCHEMBL4507171 0.81 MDM2 (0.34) MTNR1AMTNR1B
SCHEMBL8196011 0.80 CYP19A1 (0.34) MTNR1AMTNR1BCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
US-7705034-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-27 US disclosed
EP-2074090-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-01 EP disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
US-20080096953-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2008-04-24 US disclosed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 WO disclosed
WO-2008043698-A1 VINYLOGOUS ACIDS DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-17 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 (1 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-20080096953-A1 Vinylogous acid derivatives CMA1, TPSG1, GAA MTNR1A 1303/4885MTNR1B 1821/4885CYP19A1 1050/4885

“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.