SCHEMBL380804

SCHEMBL380804

CN(CCCN(C)C(=O)c1ccc(N)cc1Cl)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CHRM3 P20309 1/20 0.48
MAOA P21397 1/20 0.48
HTR2C P28335 1/20 0.48
CHRNA4 P43681 1/20 0.48
HTR3A P46098 1/20 0.48
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
HSP90AA1 P07900 2/20 0.41
JAK2 O60674 1/20 0.40
TYK2 P29597 1/20 0.40
CYP3A4 P08684 5/20 0.38
MTOR P42345 3/20 0.38
PIK3CA P42336 2/20 0.38
NR1H4 Q96RI1 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL380805 0.86 CHRM2 (0.42) CHRM2CHRM3MAOAHTR2CCHRNA4
SCHEMBL381330 0.84 HDAC6 (0.42) CHRM2CHRM3MAOAHTR2CCHRNA4
SCHEMBL3174627 0.79 ALDH1A1 (0.50) CHRM2CHRM3MAOAHTR2CCHRNA4
SCHEMBL380774 0.76 HDAC1 (0.45) CHRM2MAOAHTR3AKCNH2HRH3
SCHEMBL768660 0.76 GAA (0.53) HTR2CHTR3AKCNH2CYP3A4ALDH1A1
SCHEMBL16305344 0.75 CHRM2 (0.56) CHRM2CHRM3MAOAHTR2CCHRNA4
SCHEMBL7376466 0.75 POLB (0.67) CHRM2CHRM3MAOAHTR2CCHRNA4
SCHEMBL28546904 0.74 EPHX2 (0.44) CHRM2CHRM3MAOAHTR2CCHRNA4
SCHEMBL99697 0.71 CASP1 (0.63) CHRM2CHRM3MAOAHTR2CCHRNA4
SCHEMBL14094442 0.70 SIGMAR1 (0.55) CHRM2CHRM3MAOAHTR2CCHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 CHRM2 2/4885CHRM3 1/4885MAOA 1900/4885

“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.