SCHEMBL4269129

SCHEMBL4269129

Cc1cc(O)ccc1CN1CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
POLB P06746 2/20 0.47
NR1H2 P55055 1/20 0.46
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HTR6 P50406 3/20 0.44
KMT2A Q03164 2/20 0.44
MC4R P32245 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CHKA P35790 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL12432723 0.87 KMT2A (0.60) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL3378826 0.86 MAPK1 (0.53) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL15417767 0.83 TDP1 (0.56) ALDH1A1TDP1POLBGAAMAPT
SCHEMBL12433148 0.83 DRD4 (0.55) ALDH1A1POLBKMT2AMC4RMEN1
SCHEMBL327602 0.82 KDM4E (0.49) KDM4EALDH1A1TDP1POLBNR1H2
SCHEMBL15314567 0.81 ACHE (0.62) ALDH1A1POLBKMT2ASMN1; SMN2MEN1
SCHEMBL4758225 0.80 NR1H2 (0.64) KDM4EALDH1A1TDP1POLBNR1H2
SCHEMBL21551100 0.80 KDM4E (0.49) KDM4EALDH1A1TDP1POLBNR1H2
SCHEMBL9926517 0.80 ALDH1A1 (0.66) KDM4EALDH1A1TDP1POLBNR1H2
SCHEMBL12139629 0.79 HRH3 (0.50) KDM4EALDH1A1TDP1POLBNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1533304-B1 AMIDE DERIVATIVE NIPPON SHINYAKU CO LTD (JP) 2009-11-04 EP disclosed
US-7494997-B2 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2009-02-24 US disclosed
CN-100343237-C Amide derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2007-10-17 CN disclosed
US-20060014742-A1 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2006-01-19 US disclosed
CN-1678590-A Amide derivative and pharmaceutical NIPPON SHINYAKU CO LTD (JP) 2005-10-05 CN disclosed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 EP 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 (1 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-20060014742-A1 Amide derivative ABL1, ABL2, BCR KDM4E 1606/4885ALDH1A1 753/4885TDP1 3318/4885

“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.