SCHEMBL4391840

SCHEMBL4391840

C=C(CN1CCNCC1)CN(Cc1cccc(-c2ccccc2)c1)C(=O)Nc1cccc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.48
ROCK2 O75116 10/20 0.48
ROCK1 Q13464 5/20 0.48
CASR P41180 2/20 0.45
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CDC42BPA Q5VT25 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL4400506 0.89 CASR (0.56) CHRM3CASRSMN1; SMN2UBE2MDCUN1D1
SCHEMBL4396970 0.86 KMT2A (0.48) CHRM3ROCK2CASRSMN1; SMN2
SCHEMBL4391777 0.84 CASR (0.53) CASRSMN1; SMN2
SCHEMBL4393805 0.83 CASR (0.62) CASR
SCHEMBL4393209 0.82 SMN1; SMN2 (0.46) CHRM3CASRSMN1; SMN2
Hydrochloric Acid SCHEMBL4400765 0.82 CASR (0.61) CASR
SCHEMBL4398678 0.80 CHRM3 (0.44) CHRM3
SCHEMBL4397067 0.80 CASR (0.59) CASR
SCHEMBL4396965 0.80 UBE2M (0.45) CHRM3CASRSMN1; SMN2UBE2MDCUN1D1
SCHEMBL14472841 0.78 CASR (0.43) ROCK2CASRSMN1; SMN2

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 CHRM3 79/4885ROCK2 2463/4885ROCK1 4163/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CHRM3 182/4885ROCK2 4213/4885ROCK1 4433/4885

“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.