SCHEMBL5558776

SCHEMBL5558776

C=C(CN(C)CCCNC)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.47
CASR P41180 16/20 0.46
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4562949 0.92 CASR (0.44) CASR
SCHEMBL4392190 0.90 CASR (0.45) CCR5CASRSMN1; SMN2
SCHEMBL4401048 0.89 CASR (0.54) CASRLMNAMAPTALOX12HTT
SCHEMBL4393803 0.88 CASR (0.62) CASR
SCHEMBL4401078 0.84 CASR (0.47) CCR5CASRSMN1; SMN2
SCHEMBL4392923 0.84 CASR (0.48) CASRLMNAMAPTHTTNPC1
SCHEMBL4397353 0.83 CASR (0.56) CASRLMNAMAPTALOX12HTT
SCHEMBL4398873 0.82 CASR (0.64) CASR
SCHEMBL4391788 0.79 CASR (0.58) CCR5CASR
SCHEMBL4391977 0.76 CASR (0.57) CCR5CASR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CCR5 858/4885CASR 2483/4885LMNA 4277/4885

“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.