SCHEMBL4394593

SCHEMBL4394593

C=C(CN1CCNCC1)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.53
NPY5R Q15761 1/20 0.41
SLC1A2 P43004 1/20 0.41
KCNA5 P22460 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 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
Hydrochloric Acid SCHEMBL4391804 0.99 CASR (0.53) CASRNPY5RSLC1A2KCNA5ALDH1A1
Hydrochloric Acid SCHEMBL4403194 0.96 CASR (0.50) CASRNPY5RSLC1A2ALDH1A1GAA
Hydrochloric Acid SCHEMBL4402106 0.92 CASR (0.50) CASRNPY5RALDH1A1GAA
SCHEMBL4394677 0.91 CASR (0.45) CASRNPY5RSLC1A2KCNA5ALDH1A1
SCHEMBL4393805 0.91 CASR (0.62) CASR
SCHEMBL4391784 0.90 CASR (0.51) CASR
Hydrochloric Acid SCHEMBL4400765 0.90 CASR (0.61) CASR
SCHEMBL6989540 0.90 CASR (0.49) CASRSLC1A2KCNA5ALDH1A1GAA
Hydrochloric Acid SCHEMBL4397074 0.89 CASR (0.51) CASR
SCHEMBL4399325 0.89 CASR (0.55) CASRALDH1A1

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 5 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 claimed
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 claimed
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 2192/4885NPY5R 47/4885SLC1A2 3292/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885NPY5R 23/4885SLC1A2 4156/4885

“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.