SCHEMBL6322809

SCHEMBL6322809

O=C(NCCc1ccccc1)NCC(O)COc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 10/20 0.61
ADRB3 P13945 9/20 0.61
ABCB1 P08183 1/20 0.58
ADRB2 P07550 4/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
EPHX1 P07099 1/20 0.54
TAAR1 Q96RJ0 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL6255751 0.91 MEN1 (0.61) ADRB1ADRB3ABCB1ADRB2MEN1
SCHEMBL6258143 0.91 CASR (0.58) ADRB1ADRB3ABCB1ADRB2MEN1
SCHEMBL6255835 0.91 ABCB1 (0.56) ADRB1ADRB3ABCB1ADRB2MEN1
SCHEMBL6260126 0.89 ABCB1 (0.59) ADRB1ADRB3ABCB1ADRB2MEN1
SCHEMBL6259862 0.89 ABCB1 (0.58) ADRB1ADRB3ABCB1ADRB2ALDH1A1
SCHEMBL6256734 0.88 MEN1 (0.58) ADRB1ADRB3ABCB1ADRB2MEN1
SCHEMBL6260086 0.88 KDM4E (0.57) ADRB1ADRB3ABCB1ADRB2KMT2A
SCHEMBL6257529 0.87 MEN1 (0.62) ADRB1ADRB3ABCB1ADRB2MEN1
SCHEMBL6260399 0.87 ADRB1 (0.64) ADRB1ADRB3ABCB1ADRB2MEN1
SCHEMBL6255766 0.85 GAA (0.53) ADRB1ADRB3ABCB1ADRB2MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962945-B2 N-aryloxypropanolyl-N′-phenethyl-urea COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-11-08 US claimed
US-20050215631-A1 NOVEL N-ARYLOXYPROPANOLYL-N' - PHENETHYL - UREA COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-09-29 US claimed
US-6962945-B2 N-aryloxypropanolyl-N′-phenethyl-urea COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-11-08 US disclosed
US-20050215631-A1 NOVEL N-ARYLOXYPROPANOLYL-N' - PHENETHYL - UREA COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-09-29 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 (1 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-20050215631-A1 NOVEL N-ARYLOXYPROPANOLYL-N' - PHENETHYL - UREA NPY4R, GPR119, MC4R ADRB1 268/4885ADRB3 57/4885ABCB1 3308/4885

“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.