SCHEMBL4538293

SCHEMBL4538293

CN(C)C(OC(c1ccccc1)N(C)C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR2A P28223 4/20 0.44
HRH1 P35367 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
SLC6A2 P23975 1/20 0.41
HRH2 P25021 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 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
SCHEMBL27539875 0.83 KDM4E (0.43) KDM4EALDH1A1HTR2AHRH1TDP1
SCHEMBL8506364 0.79 LMNA (0.39) KDM4EHTR2AHRH1LMNACYP1A2
SCHEMBL4975762 0.76 KDM4E (0.38) KDM4EALDH1A1HTR2AHRH1TDP1
SCHEMBL674996 0.76 CHRNA7 (0.59) KDM4EALDH1A1HTR2AHRH1TDP1
Bromide SCHEMBL10595079 0.74 CHRNA7 (0.56) KDM4EALDH1A1HTR2AHRH1TDP1
Water SCHEMBL28355612 0.74 CHRNA7 (0.56) KDM4EALDH1A1HTR2AHRH1TDP1
Hydrochloric Acid SCHEMBL11332719 0.74 CHRNA7 (0.56) KDM4EALDH1A1HTR2AHRH1TDP1
SCHEMBL9329234 0.73 HTR2A (0.43) KDM4EALDH1A1HTR2AHRH1TDP1
SCHEMBL11866446 0.72 LMNA (0.46) KDM4EHTR2AHRH1TDP1LMNA
SCHEMBL6131994 0.72 MEN1 (0.41) KDM4EALDH1A1HTR2AHRH1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296279-A1 SUBSTITUTED TETRACYCLINES CONCERT PHARMACEUTICALS INC. 2013-11-07 US disclosed
WO-2012065028-A2 SUBSTITUTED TETRACYCLINES CONCERT PHARMACEUTICALS INC. (US) 2012-05-18 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 (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-20130296279-A1 SUBSTITUTED TETRACYCLINES TET1, TET3, SLC10A2 KDM4E 788/4885ALDH1A1 1432/4885HTR2A 2284/4885

“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.