SCHEMBL4394677

SCHEMBL4394677

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.45
NPY5R Q15761 1/20 0.42
KCNA5 P22460 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 2/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 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
SCHEMBL4394593 0.91 CASR (0.53) CASRNPY5RKCNA5ALDH1A1SLC1A2
SCHEMBL4391777 0.90 CASR (0.53) CASRKDM4EALDH1A1OPRD1MEN1
Hydrochloric Acid SCHEMBL4391804 0.90 CASR (0.53) CASRNPY5RKCNA5ALDH1A1SLC1A2
Hydrochloric Acid SCHEMBL4403194 0.87 CASR (0.50) CASRNPY5RKDM4EALDH1A1MEN1
SCHEMBL4396703 0.84 CASR (0.65) CASRALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4402106 0.83 CASR (0.50) CASRNPY5RALDH1A1MEN1KMT2A
SCHEMBL4400538 0.82 SMN1; SMN2 (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4393805 0.82 CASR (0.62) CASR
Hydrochloric Acid SCHEMBL4397070 0.81 CASR (0.43) CASRALDH1A1HTTOPRD1MEN1
Hydrochloric Acid SCHEMBL4400765 0.81 CASR (0.61) 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 2192/4885NPY5R 47/4885KCNA5 827/4885
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 23/4885KCNA5 603/4885

“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.