SCHEMBL4397200

SCHEMBL4397200

C=C(CN1CCNCC1)CN(CC(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
EGFR P00533 1/20 0.38
CNR1 P21554 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
SLC6A4 P31645 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
EPHX2 P34913 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4399312 0.90 CASR (0.42) SIGMAR1EGFRCNR1LMNAGAA
SCHEMBL4397159 0.87 CASR (0.40) SIGMAR1EGFRGAASLC6A4EPHX2
SCHEMBL4398678 0.82 CHRM3 (0.44)
SCHEMBL4397695 0.81 CHRM3 (0.37) LMNAMEN1KMT2AEPHX2FAAH
SCHEMBL4401960 0.81 ALDH1A1 (0.47) SIGMAR1GAAMEN1KMT2APOLB
SCHEMBL4393246 0.78 ADAM17 (0.41) POLBALDH1A1NPSR1
SCHEMBL4397693 0.78 KDM4E (0.40) LMNAMEN1KMT2APOLBFAAH
SCHEMBL4394677 0.77 CASR (0.45) LMNAGAAMEN1KMT2AOPRD1
SCHEMBL4395802 0.77 CASR (0.42) SIGMAR1EPHX2OPRM1OPRD1
SCHEMBL7087375 0.77 CASR (0.47) CNR1LMNAGAAMEN1KMT2A

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 SIGMAR1 12/4885EGFR 2524/4885CNR1 77/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 SIGMAR1 18/4885EGFR 1454/4885CNR1 223/4885

“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.