SCHEMBL4393202

SCHEMBL4393202

C=C(CN1CCN(C(=O)OC(C)(C)C)CC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.47
CCR5 P51681 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
F13A1 P00488 1/20 0.39
TGM2 P21980 1/20 0.39

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
SCHEMBL4403137 0.93 LMNA (0.48) CASRALDH1A1LMNAMAPTCHRM2
SCHEMBL4401060 0.92 CASR (0.47) CASRALDH1A1LMNAMAPT
SCHEMBL4393898 0.91 CASR (0.45) CASRALDH1A1LMNAMAPTCHRM2
SCHEMBL4389884 0.91 MAPT (0.48) CASRCCR5MAPTCHRM2CHRM4
SCHEMBL4393902 0.87 CASR (0.42) CASRCHRM2CHRM4CHRM1CHRM3
SCHEMBL6698536 0.87 CASR (0.57) CASR
SCHEMBL4562924 0.87 CASR (0.47) CASR
SCHEMBL4391778 0.86 CASR (0.51) CASRCCR5LMNA
SCHEMBL4393814 0.86 CASR (0.68) CASRALDH1A1
Hydrochloric Acid SCHEMBL4402008 0.85 CASR (0.51) CASRCCR5ALDH1A1LMNA

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 5 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 claimed
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 claimed
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 2192/4885CCR5 433/4885ALDH1A1 3828/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885CCR5 858/4885ALDH1A1 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.