SCHEMBL5865547

SCHEMBL5865547

CN(C)c1ccc(C=O)cc1-c1cc2c(cc1N(C)C)C(C)(C)CCC2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.38
RARB P10826 10/20 0.36
RARG P13631 10/20 0.36
RARA P10276 8/20 0.36
RXRB P28702 4/20 0.36
RXRG P48443 4/20 0.36
CYP2A6 P11509 1/20 0.35
CYP2A13 Q16696 1/20 0.35
ALDH1A3 P47895 3/20 0.34
CYP26A1 O43174 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5489152 0.91 RXRA (0.49) RXRARARBRARGRARARXRB
SCHEMBL6541637 0.82 RXRA (0.36) RXRARARBRARGRARARXRB
SCHEMBL6541634 0.82 RXRA (0.36) RXRARARBRARGRARARXRB
SCHEMBL5488097 0.79 PIM1 (0.52) NPC1RAB9A
SCHEMBL5488100 0.79 PIM1 (0.52) NPC1RAB9A
SCHEMBL14492774 0.79 PIM1 (0.52) NPC1RAB9A
SCHEMBL6449312 0.76 RXRA (0.37) RXRARARBRARGRARARXRB
SCHEMBL6449379 0.75 RXRA (0.34) RXRACYP2A6CYP2A13ALDH1A3ALDH1A1
SCHEMBL3838099 0.74 RARB (0.57) RXRARARBRARGRARARXRB
SCHEMBL6542715 0.74 RXRA (0.46) RXRARARBRARGRARARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases PFAHL MAGNUS 2006-07-20 US disclosed
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 (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-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP RXRA 817/4885RARB 1706/4885RARG 1291/4885
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, PC, PNLIP RXRA 778/4885RARB 1577/4885RARG 1166/4885

“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.