SCHEMBL4401979

SCHEMBL4401979

C=C(CN1CCNCC1)CN(CCNCCc1cccc(C)c1)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CHRM3 P20309 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GFER P55789 1/20 0.38
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 2/20 0.37
MLNR O43193 2/20 0.37
ALOX12 P18054 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
SCHEMBL4397564 0.88 CASR (0.49) MEN1KMT2ACHRM3ALDH1A1LMNA
SCHEMBL4401983 0.84 CASR (0.39) DRD4MEN1KMT2ACHRM3ALDH1A1
SCHEMBL4397693 0.84 KDM4E (0.40) MEN1KMT2ACHRM3ALDH1A1LMNA
SCHEMBL4400538 0.83 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4401977 0.82 MAPT (0.41) DRD4MEN1KMT2ACHRM3ALDH1A1
SCHEMBL4393209 0.80 SMN1; SMN2 (0.46) MEN1KMT2ACHRM3ALDH1A1LMNA
SCHEMBL4391982 0.79 CXCR4 (0.44) MEN1KMT2ACHRM3ALDH1A1MAPT
SCHEMBL4394593 0.77 CASR (0.53) ALDH1A1
SCHEMBL4392178 0.77 CASR (0.52) MEN1KMT2ACHRM3ALDH1A1LMNA
SCHEMBL4396970 0.77 KMT2A (0.48) KMT2ACHRM3HTTROCK2MLNR

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 DRD4 614/4885MEN1 3080/4885KMT2A 3889/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 DRD4 397/4885MEN1 2571/4885KMT2A 4161/4885

“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.