Sugi Predict

Sugi Predict / Compounds / SCHEMBL4394724

SCHEMBL4394724

SCHEMBL4394724

C=C(CN1CCNCC1)CN(CCOc1ccccc1C#N)C(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.38
▸ CHRM3 P20309 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNA5 P22460 2/20 0.36
▸ EPHX2 P34913 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MCHR1 Q99705 3/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CASR P41180 1/20 0.33

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
SCHEMBL4399460 0.91 KCNA5 (0.43) HTR2CALDH1A1KDM4EKMT2AKCNA5
SCHEMBL4392185 0.87 KCNA5 (0.42) HTR2CALDH1A1KDM4EKMT2AKCNA5
SCHEMBL4394783 0.86 CASR (0.42) HTR2CALDH1A1MEN1KMT2AEPHX2
SCHEMBL4399190 0.86 CASR (0.41) CHRM3ALDH1A1EPHX2MCHR1CASR
SCHEMBL4394368 0.85 CASR (0.50) CHRM3ALDH1A1MEN1KMT2ANPC1
SCHEMBL4399209 0.84 EPHX2 (0.37) HTR2CCHRM3ALDH1A1KDM4EMEN1
SCHEMBL14472757 0.84 CASR (0.35) HTR2CCHRM3MEN1KMT2AKCNA5
SCHEMBL6989235 0.84 CASR (0.45) HTR2CMEN1KMT2AEPHX2NPC1
SCHEMBL4401811 0.82 CASR (0.42) ALDH1A1EPHX2MCHR1CASR
SCHEMBL4394742 0.81 CASR (0.53) CHRM3ALDH1A1MEN1KMT2ANPC1

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
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-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 HTR2C 968/4885CHRM3 79/4885ALDH1A1 3828/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 HTR2C 1573/4885CHRM3 182/4885ALDH1A1 3190/4885

“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.