SCHEMBL12106955

SCHEMBL12106955

CCOC(=O)N1CCc2cc(Br)c(NC(C)=O)cc2CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
CYP2C19 P33261 1/20 0.47
POLB P06746 3/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
LMNA P02545 5/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL12106930 0.86 MAPT (0.52) MAPTCYP2C19POLBABL1RIN1
SCHEMBL12106938 0.82 MAPT (0.46) MAPTCYP2C19POLBABL1RIN1
SCHEMBL1294582 0.80 GAA (0.46) MAPTPOLBABL1RIN1TDP1
SCHEMBL12105495 0.79 KDM4E (0.44) MAPTCYP2C19POLBABL1RIN1
SCHEMBL12110148 0.78 CYP2C19 (0.61) MAPTCYP2C19POLBABL1RIN1
SCHEMBL12106007 0.78 MAPT (0.43) MAPTCYP2C19POLBABL1RIN1
SCHEMBL12106939 0.77 MAPT (0.46) MAPTCYP2C19POLBABL1RIN1
SCHEMBL14553895 0.77 MAPT (0.42) MAPTCYP2C19POLBABL1RIN1
SCHEMBL433839 0.76 CA1 (0.45) MAPTCYP2C19POLBALDH1A1KDM4E
SCHEMBL29575116 0.76 CA1 (0.45) MAPTCYP2C19POLBALDH1A1KDM4E

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 12 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
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 361/4885POLB 4452/4885
US-20110269744-A1 Benzazepine Compound HTR2C, HTR3C, HTR2A MAPT 3580/4885CYP2C19 187/4885POLB 4244/4885
US-20130059837-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C MAPT 3913/4885CYP2C19 361/4885POLB 4452/4885
US-20150315208-A1 BENZAZEPINE COMPOUND HTR2C, HTR2A, HTR3C MAPT 3913/4885CYP2C19 361/4885POLB 4452/4885

“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.