SCHEMBL4490559

SCHEMBL4490559

CC(C)C1NC(=O)C(C(c2ccccc2)c2[nH]c3ccccc3c2CCN)=C1O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.42
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
HTR6 P50406 1/20 0.39
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TOP1 P11387 1/20 0.35
TOP2A P11388 1/20 0.35

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
SCHEMBL4499087 0.91 CYP19A1 (0.42) CYP19A1MTNR1AMTNR1BCHRNB2CHRNA7
SCHEMBL4490551 0.87 MTNR1A (0.38) CYP19A1MTNR1AMTNR1B
SCHEMBL4498277 0.85 MTNR1A (0.61) CYP19A1MTNR1AMTNR1B
SCHEMBL4498964 0.85 MTNR1A (0.42) CYP19A1MTNR1AMTNR1B
SCHEMBL4492602 0.84 MTNR1A (0.49) CYP19A1MTNR1AMTNR1B
SCHEMBL1379087 0.83 DAO (0.41) CYP19A1MTNR1AMTNR1B
SCHEMBL4499201 0.80 MEN1 (0.38) CYP19A1MTNR1AMTNR1B
SCHEMBL4505261 0.79 MTNR1A (0.52) CYP19A1MTNR1AMTNR1B
SCHEMBL8230415 0.79 CYP19A1 (0.57) CYP19A1
SCHEMBL4510000 0.77 MTNR1A (0.52) CYP19A1MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612099-B2 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1957483-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007063010-A1 NOVEL VINYLOGOUS ACIDS DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129421-A1 Vinylogous acid derivatives HOFFMANN-LA ROCHE INC. 2007-06-07 US 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-20070129421-A1 Vinylogous acid derivatives CMA1, TPSG1, TPSAB1 CYP19A1 1030/4885MTNR1A 454/4885MTNR1B 756/4885

“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.