SCHEMBL4391777

SCHEMBL4391777

C=C(CN1CCNCC1)CN(CC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.53
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL4393805 0.92 CASR (0.62) CASR
Hydrochloric Acid SCHEMBL4400765 0.91 CASR (0.61) CASR
SCHEMBL4394677 0.90 CASR (0.45) CASRALDH1A1MEN1KMT2AMAPT
SCHEMBL4396703 0.89 CASR (0.65) CASRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4397067 0.89 CASR (0.59) CASR
SCHEMBL4396970 0.85 KMT2A (0.48) CASRSMN1; SMN2KMT2A
SCHEMBL4391840 0.84 CHRM3 (0.48) CASRSMN1; SMN2
SCHEMBL4393209 0.83 SMN1; SMN2 (0.46) CASRSMN1; SMN2ALDH1A1TSHRMEN1
SCHEMBL4394593 0.82 CASR (0.53) CASRALDH1A1GAA
SCHEMBL6988739 0.81 CASR (0.62) CASR

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 CASR 2192/4885SMN1; SMN2 1662/4885ALDH1A1 3828/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885SMN1; SMN2 2522/4885ALDH1A1 3190/4885

“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.