SCHEMBL12106938

SCHEMBL12106938

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
CYP2C19 P33261 1/20 0.43
MAPK1 P28482 1/20 0.40
POLB P06746 3/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 6/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 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
SCHEMBL12106939 0.86 MAPT (0.46) MAPTCYP2C19MAPK1POLBABL1
SCHEMBL12106007 0.84 MAPT (0.43) MAPTCYP2C19MAPK1POLBABL1
SCHEMBL14553895 0.83 MAPT (0.42) MAPTCYP2C19MAPK1POLBABL1
SCHEMBL12106955 0.82 MAPT (0.51) MAPTCYP2C19MAPK1POLBABL1
SCHEMBL12106930 0.81 MAPT (0.52) MAPTCYP2C19MAPK1POLBABL1
SCHEMBL12106008 0.75 LMNA (0.43) MAPTCYP2C19MAPK1POLBABL1
SCHEMBL12110113 0.75 LMNA (0.43) MAPTCYP2C19MAPK1POLBABL1
SCHEMBL12110159 0.75 MAPT (0.42) MAPTCYP2C19MAPK1POLBABL1
SCHEMBL14755900 0.73 MAPT (0.41) MAPTCYP2C19MAPK1POLBABL1
SCHEMBL12110148 0.71 CYP2C19 (0.61) MAPTCYP2C19POLBABL1RIN1

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 3913/4885CYP2C19 361/4885MAPK1 3811/4885
US-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A MAPT 3580/4885CYP2C19 187/4885MAPK1 3966/4885
US-20130059837-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C MAPT 3913/4885CYP2C19 361/4885MAPK1 3811/4885
US-20150315208-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C MAPT 3913/4885CYP2C19 361/4885MAPK1 3811/4885

“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.