SCHEMBL4393902

SCHEMBL4393902

C=C(CN1CCN(C(=O)OC(C)(C)C)CC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C)cs1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.42
ACKR3 P25106 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GLS O94925 1/20 0.38
EPHX2 P34913 2/20 0.36

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
SCHEMBL6988990 0.90 CASR (0.41) CASR
SCHEMBL4393202 0.87 CASR (0.47) CASRCHRM2CHRM4CHRM1CHRM3
Hydrochloric Acid SCHEMBL4400804 0.84 CASR (0.46) CASR
SCHEMBL4403137 0.83 LMNA (0.48) CASRCHRM2CHRM4CHRM1CHRM3
SCHEMBL4401060 0.82 CASR (0.47) CASR
SCHEMBL4562924 0.82 CASR (0.47) CASR
SCHEMBL6698536 0.82 CASR (0.57) CASR
SCHEMBL4393898 0.81 CASR (0.45) CASRCHRM2CHRM4CHRM1CHRM3
SCHEMBL4389884 0.81 MAPT (0.48) CASRCHRM2CHRM4CHRM1CHRM3
SCHEMBL4393814 0.81 CASR (0.68) CASR

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 2192/4885ACKR3 727/4885CHRM2 28/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885ACKR3 1330/4885CHRM2 105/4885

“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.