SCHEMBL12413675

SCHEMBL12413675

CC(C)C(=O)N1CCC(CN(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39
EPHX2 P34913 3/20 0.37
NPY5R Q15761 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL12413655 0.89 DPP8 (0.41) L3MBTL1FAAHMEN1KMT2AALDH1A1
SCHEMBL12448139 0.83 CHRNB2 (0.48) L3MBTL1FAAHMEN1KMT2AALDH1A1
SCHEMBL12413677 0.82 CHRNB2 (0.38) MEN1KMT2AUSP2TP53XBP1
SCHEMBL1753627 0.81 EPHX2 (0.53) L3MBTL1FAAHMEN1KMT2AALDH1A1
SCHEMBL621434 0.81 MEN1 (0.44) L3MBTL1FAAHMEN1KMT2AALDH1A1
SCHEMBL24127260 0.81 MAPT (0.53) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL25953691 0.80 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL15730412 0.79 MEN1 (0.47) L3MBTL1FAAHMEN1KMT2AALDH1A1
SCHEMBL12427231 0.79 MEN1 (0.43) L3MBTL1FAAHMEN1KMT2AALDH1A1
SCHEMBL6028911 0.79 MEN1 (0.43) L3MBTL1FAAHMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051279-B2 Substituted isoquinolinones and quinazolinones NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2516009-B1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2014-09-24 EP disclosed
US-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES NOVARTIS AG (CH) 2013-10-24 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 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-20130281473-A1 SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES MDM4, MDM2, TP53 L3MBTL1 813/4885FAAH 4461/4885MEN1 385/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 L3MBTL1 4515/4885FAAH 1424/4885MEN1 163/4885

“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.