SCHEMBL21397833

SCHEMBL21397833

CC(C)(C)OC(=O)N[C@@H]1Cc2ncc(NC(=O)OCc3ccccc3)cc2N(Cc2ccccc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.59
NPY1R P25929 3/20 0.50
BTK Q06187 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL16664545 0.80 RORC (0.53) RORCBTK
SCHEMBL16851394 0.80 RORC (0.53) RORCBTK
SCHEMBL8274769 0.75 SCN9A (0.43) RORCNPY1RKMT2AL3MBTL1
SCHEMBL5132571 0.75 NPY1R (0.59) NPY1RKMT2AL3MBTL1
SCHEMBL7416762 0.75 NPY1R (0.59) NPY1RKMT2AL3MBTL1
SCHEMBL29048164 0.75 SMN1; SMN2 (0.57) NPY1RKMT2AL3MBTL1
SCHEMBL16851207 0.74 RORC (0.60) RORCBTKKMT2AL3MBTL1
SCHEMBL16664605 0.74 RORC (0.60) RORCBTKKMT2AL3MBTL1
SCHEMBL16848680 0.74 RORC (1.00) RORC
SCHEMBL16664546 0.73 RORC (0.83) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease LYCERA CORPORATION (US) 2020-08-18 US disclosed
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE MERCK SHARP & DOHME LLC 2019-09-26 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 (2 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-10745364-B2 Tetrahydronaphthyridine, benzoxazine, aza-benzoxazine and related bicyclic compounds for inhibition of RORgamma activity and the treatment of disease RORB, RORA, RORC RORC 3/4885NPY1R 76/4885BTK 912/4885
US-20190292159-A1 TETRAHYDRONAPHTHYRIDINE, BENZOXAZINE, AZA-BENZOXAZINE AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF RORgamma ACTIVITY AND THE TREATMENT OF DISEASE RORB, RORA, RORC RORC 3/4885NPY1R 76/4885BTK 912/4885

“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.