SCHEMBL3245495

SCHEMBL3245495

CCN(CC)N(C=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
GLA P06280 1/20 0.44
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
CYP2A6 P11509 1/20 0.36
HTT P42858 1/20 0.35
TP53 P04637 2/20 0.35
ESR1 P03372 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NR3C2 P08235 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CRHBP P24387 1/20 0.34
ATM Q13315 1/20 0.34
CRHR2 Q13324 1/20 0.34
TLR9 Q9NR96 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL28192972 0.80 ALDH1A1 (0.34) ALDH1A1ALDH3A1ALDH1A3
SCHEMBL305842 0.76 TSHR (0.48) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL2965372 0.76 MEN1 (0.44) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL31116625 0.76 TSHR (0.48) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL7663475 0.74 ALDH1A1 (0.44) ALDH1A1TSHRGLAKMT2AMEN1
Hydrochloric Acid SCHEMBL27729963 0.74 MEN1 (0.43) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL7593557 0.73 ALDH1A1 (0.37) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL7663128 0.72 ALDH1A1 (0.42) ALDH1A1TSHRGLAKMT2AHTT
SCHEMBL1685257 0.70 TSHR (0.46) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL3725404 0.69 ALDH1A1 (0.42) ALDH1A1TSHRGLAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 ALDH1A1 874/4885TSHR 2306/4885GLA 1504/4885

“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.