SCHEMBL5865615

SCHEMBL5865615

CN(C)c1cc2c(cc1OBOc1cc3c(cc1N(C)C)C(C)(C)CCC3(C)C)C(C)(C)CCC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.37
PPARG P37231 1/20 0.37
NR1H3 Q13133 1/20 0.37
RXRB P28702 3/20 0.35
RXRG P48443 3/20 0.35
HNF4A P41235 2/20 0.31

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
SCHEMBL5865371 0.71 RXRA (0.41) RXRARXRBRXRG
SCHEMBL5846936 0.67 RXRA (0.50) RXRAPPARGRXRBRXRG
SCHEMBL11599145 0.65 RXRA (0.42) RXRARXRBRXRG
SCHEMBL13989982 0.61 CHEK1 (0.41) RXRARXRBRXRGHNF4A
SCHEMBL5865567 0.61 RXRA (0.49) RXRARXRBRXRG
SCHEMBL15367660 0.59 RXRA (0.42) RXRARXRBRXRGHNF4A
SCHEMBL5366510 0.59 RXRA (0.45) RXRARXRBRXRG
SCHEMBL7760183 0.59 RXRA (0.46) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL5758511 0.59 ALDH1A1 (0.46)
SCHEMBL7622765 0.58 RXRA (0.48) RXRAPPARGNR1H3RXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071218-B2 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases INCYTE SAN DIEGO INCORPORATED (US) 2006-07-04 US disclosed
EP-1456187-A4 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INC (US) 2005-02-09 EP disclosed
EP-1456187-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES Incyte San Diego Incorporated (US) 2004-09-15 EP disclosed
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2003-07-31 US disclosed
WO-2003043998-A1 N-SUBSTITUTED HETEROCYCLES FOR THE TREATMENT OF HYPERCHOLESTEREMIA, DYSLIPIDEMIA AND OTHER METABOLIC DISORDERS, CANCER, AND OTHER DISEASES INCYTE SAN DIEGO INCORPORATED (US) 2003-05-30 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-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP RXRA 817/4885PPARG 208/4885NR1H3 29/4885

“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.