SCHEMBL4401078

SCHEMBL4401078

C=C(CN(C)CCNC)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.47
CCR5 P51681 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MTOR P42345 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
SLC6A9 P48067 1/20 0.37

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
SCHEMBL4392190 0.94 CASR (0.45) CASRCCR5SMN1; SMN2ALDH1A1MTOR
SCHEMBL4562949 0.88 CASR (0.44) CASRMTOR
SCHEMBL5558776 0.84 CCR5 (0.47) CASRCCR5SMN1; SMN2
SCHEMBL4392923 0.84 CASR (0.48) CASRSMN1; SMN2ALDH1A1CNR1CNR2
SCHEMBL4397353 0.83 CASR (0.56) CASRALDH1A1KDM4EPOLB
SCHEMBL4398873 0.83 CASR (0.64) CASR
SCHEMBL4391778 0.79 CASR (0.51) CASRCCR5SMN1; SMN2GAA
SCHEMBL4401048 0.78 CASR (0.54) CASRALDH1A1KDM4E
Hydrochloric Acid SCHEMBL4402008 0.78 CASR (0.51) CASRCCR5SMN1; SMN2ALDH1A1GAA
SCHEMBL4393803 0.78 CASR (0.62) 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 2 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

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-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885CCR5 858/4885SMN1; SMN2 2522/4885

“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.