SCHEMBL2265992

SCHEMBL2265992

[CH2]c1ccc(CN2CCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.78
HRH4 Q9H3N8 1/20 0.69
ALDH1A1 P00352 5/20 0.67
KDM4E B2RXH2 3/20 0.67
CYP2D6 P10635 1/20 0.62
CYP2C19 P33261 1/20 0.62
MBTD1 Q05BQ5 1/20 0.59
L3MBTL3 Q96JM7 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
NCF1 P14598 1/20 0.55
MEN1 O00255 1/20 0.55
GFER P55789 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL4429235 1.00 HRH3 (0.78) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL1334239 0.98 HRH3 (0.75) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL302270 0.98 HRH3 (0.74) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL4277270 0.89 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL4764364 0.87 HRH3 (0.78) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL3242385 0.86 HRH3 (0.68) HRH3HRH4ALDH1A1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7468055 0.86 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL11201497 0.86 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL3241388 0.84 HRH3 (0.74) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL3240187 0.84 HRH3 (0.66) HRH3HRH4ALDH1A1KDM4EMBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP claimed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US claimed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP claimed
JP-2005536450-A 2005-12-02 JP claimed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP claimed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US claimed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 WO claimed
CN-109651334-B Process for preparing substituted piperidinedione derivatives 南京卡文迪许生物工程技术有限公司 2021-12-21 CN disclosed
CN-109651334-A The preparation method of substituted piperidine dione derivative 南京卡文迪许生物工程技术有限公司 2019-04-19 CN disclosed
EP-1465869-B1 MODULATORS OF LXR EXELIXIS PATENT CO LLC (US) 2013-05-15 EP disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
EP-1465869-A4 MODULATORS OF LXR X CEPTOR THERAPEUTICS INC (US) 2005-12-28 EP disclosed
EP-1465869-A1 MODULATORS OF LXR X-Ceptor Therapeutics, Inc. (US) 2004-10-13 EP disclosed
US-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS, INC. 2003-09-25 US disclosed
WO-2003059884-A1 MODULATORS OF LXR X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 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-20030181420-A1 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors NR1H2, NR1H3, NCOA1 HRH3 1248/4885HRH4 848/4885ALDH1A1 2744/4885

“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.