SCHEMBL12106939

SCHEMBL12106939

CCOC(=O)N1CCc2cc(NC(C)=O)c(O)c(Cl)c2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL12106938 0.86 MAPT (0.46) MAPTMEN1KMT2ACYP2C19MAPK1
SCHEMBL12106008 0.84 LMNA (0.43) MAPTMEN1KMT2ACYP2C19PKM
SCHEMBL12110113 0.83 LMNA (0.43) MAPTMEN1KMT2ACYP2C19MAPK1
SCHEMBL12106930 0.81 MAPT (0.52) MAPTMEN1KMT2ACYP2C19MAPK1
SCHEMBL12106955 0.77 MAPT (0.51) MAPTMEN1KMT2ACYP2C19PKM
SCHEMBL12106007 0.75 MAPT (0.43) MAPTMEN1KMT2ACYP2C19PKM
SCHEMBL14553895 0.75 MAPT (0.42) MAPTMEN1KMT2ACYP2C19PKM
SCHEMBL12110159 0.75 MAPT (0.42) MAPTMEN1KMT2ACYP2C19PKM
SCHEMBL14755900 0.73 MAPT (0.41) MAPTMEN1KMT2ACYP2C19PKM
SCHEMBL1294161 0.73 LMNA (0.42) MAPTMEN1KMT2APKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598434-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2017-03-21 US disclosed
US-9598434-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2017-03-21 US disclosed
US-20150315208-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-11-05 US disclosed
US-20150315208-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-11-05 US disclosed
US-9108977-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2015-08-18 US disclosed
US-9108977-B2 Benzazepine compound ASTELLAS PHARMA INC. (JP) 2015-08-18 US disclosed
US-20130059837-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-03-07 US disclosed
US-20130059837-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-03-07 US disclosed
US-20130012496-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-01-10 US disclosed
US-20130012496-A1 BENZAZEPINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-01-10 US disclosed
US-20110269744-A1 Benzazepine Compound ASTELLAS PHARMA INC. (JP) 2011-11-03 US disclosed
US-20110269744-A1 Benzazepine Compound ASTELLAS PHARMA INC. (JP) 2011-11-03 US disclosed
WO-2011111817-A1 BENZAZEPINE COMPOUND アステラス製薬株式会社 (JP) 2011-09-15 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 (4 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-20130012496-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C MAPT 3913/4885MEN1 3249/4885KMT2A 462/4885
US-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A MAPT 3580/4885MEN1 3371/4885KMT2A 701/4885
US-20130059837-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C MAPT 3913/4885MEN1 3249/4885KMT2A 462/4885
US-20150315208-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C MAPT 3913/4885MEN1 3249/4885KMT2A 462/4885

“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.