SCHEMBL1372142

SCHEMBL1372142

[CH2]N1CCC(N2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 12/20 0.48
L3MBTL1 Q9Y468 11/20 0.48
MBTD1 Q05BQ5 5/20 0.43
TP53BP1 Q12888 2/20 0.41
L3MBTL4 Q8NA19 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR6 P50406 1/20 0.38

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
SCHEMBL1487966 0.97 L3MBTL3 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL26112589 0.78 L3MBTL3 (0.52) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL26117153 0.78 L3MBTL3 (0.52) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1813299 0.78
SCHEMBL1645817 0.78 PHGDH (0.48) L3MBTL3L3MBTL1KDM4EHTR6
SCHEMBL17782707 0.78 PHGDH (0.43) L3MBTL3L3MBTL1KDM4E
SCHEMBL1371575 0.77 SMN1; SMN2 (0.44) L3MBTL3L3MBTL1KDM4E
SCHEMBL24511688 0.77 L3MBTL3 (0.52) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL274111 0.77 PHGDH (0.37) L3MBTL3L3MBTL1KDM4E
SCHEMBL18946139 0.77 L3MBTL3 (0.52) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US claimed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US claimed
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 WO claimed
CN-105829285-A Quinazolinone and isoquinolinone derivatives 中外制药株式会社 2016-08-03 CN disclosed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed
US-7897778-B2 Benzamide compounds ASTRAZENECA (SE) 2011-03-01 US disclosed
WO-2010045580-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS EXELIXIS, INC. (US) 2010-04-22 WO disclosed
US-20080293687-A1 Benzamide Compounds ASTRAZENECA AB (SE) 2008-11-27 US disclosed
WO-2006024841-A2 BENZAMIDE COMPOUNDS ASTRAZENECA AB (SE) 2006-03-09 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 L3MBTL3 3627/4885L3MBTL1 2924/4885MBTD1 3410/4885
US-20080293687-A1 Benzamide Compounds HDAC1, HDAC11, HDAC2 L3MBTL3 914/4885L3MBTL1 864/4885MBTD1 979/4885

“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.