SCHEMBL4396970

SCHEMBL4396970

C=C(CN1CCNCC1)CN(CCCCc1ccccc1)C(=O)Nc1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
CASR P41180 2/20 0.47
RAB9A P51151 1/20 0.46
PPARA Q07869 1/20 0.44
MMP2 P08253 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 2/20 0.42
MLNR O43193 1/20 0.42
HTR2A P28223 2/20 0.42
CCR3 P51677 1/20 0.41
HTT P42858 1/20 0.41
FAAH O00519 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL4393209 0.90 SMN1; SMN2 (0.46) KMT2ACASRRAB9APPARASMN1; SMN2
SCHEMBL4396611 0.89 CASR (0.61) KMT2ACASRRAB9ASMN1; SMN2CHRM3
SCHEMBL4393805 0.87 CASR (0.62) CASR
SCHEMBL4391840 0.86 CHRM3 (0.48) CASRSMN1; SMN2ROCK2CHRM3
Hydrochloric Acid SCHEMBL4400765 0.86 CASR (0.61) CASR
SCHEMBL14472841 0.85 CASR (0.43) KMT2ACASRUSP2SMN1; SMN2ROCK2
SCHEMBL4391777 0.85 CASR (0.53) KMT2ACASRSMN1; SMN2
SCHEMBL4397067 0.84 CASR (0.59) CASR
SCHEMBL4396965 0.84 UBE2M (0.45) KMT2ACASRRAB9AUSP2SMN1; SMN2
SCHEMBL4401811 0.84 CASR (0.42) CASRSMN1; SMN2HTT

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 KMT2A 3889/4885CASR 2192/4885RAB9A 3571/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 KMT2A 4161/4885CASR 2483/4885RAB9A 2740/4885

“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.