SCHEMBL4394783

SCHEMBL4394783

C=C(CN1CCNCC1)CN(CCCOc1ccccc1C#N)C(=O)Nc1ccc(C(=O)OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.42
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HTR2C P28335 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
EPHX2 P34913 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4394742 0.92 CASR (0.53) CASRTSHRALDH1A1LMNAMAPT
SCHEMBL14472757 0.92 CASR (0.35) CASRTSHRHTTHTR2CMEN1
SCHEMBL4392185 0.92 KCNA5 (0.42) CASRTSHRHTTALDH1A1MAPT
SCHEMBL4394368 0.88 CASR (0.50) CASRTSHRALDH1A1LMNAMAPT
SCHEMBL4399460 0.88 KCNA5 (0.43) TSHRHTTALDH1A1MAPTHTR2C
SCHEMBL4401811 0.87 CASR (0.42) CASRTSHRHTTALDH1A1LMNA
SCHEMBL4394724 0.86 HTR2C (0.38) CASRALDH1A1HTR2CMEN1KMT2A
SCHEMBL6989235 0.86 CASR (0.45) CASRHTTHTR2CMEN1KMT2A
SCHEMBL4399190 0.83 CASR (0.41) CASRTSHRALDH1A1MAPTEPHX2
SCHEMBL4398149 0.82 EPHX2 (0.38) CASRALDH1A1LMNAMAPTHTR2C

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-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 US disclosed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 US disclosed
US-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use PROSKELIA SAS (FR) 2004-03-18 US 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 (2 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-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use HRH4, HRH2, RPS2 CASR 2192/4885TSHR 1106/4885HTT 2354/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885TSHR 778/4885HTT 2202/4885

“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.