SCHEMBL5145572

SCHEMBL5145572

O=C1CCCc2ccc([N+](=O)[O-])cc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.51
ADRA2A P08913 3/20 0.51
TDP2 O95551 1/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
TLR9 Q9NR96 1/20 0.47
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
APEX1 P27695 1/20 0.43
CASP6 P55212 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
GRIN2B Q13224 2/20 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
SCHEMBL10229556 0.93 TDP2 (0.49) PNMTADRA2ATDP2KMT2AMEN1
SCHEMBL1870205 0.90 PNMT (0.54) PNMTADRA2ATDP2KMT2AMEN1
SCHEMBL1715396 0.86 PNMT (0.61) PNMTADRA2ATDP2KMT2AMEN1
SCHEMBL1785799 0.84 TDP2 (0.56) PNMTADRA2ATDP2KMT2AMEN1
SCHEMBL1098412 0.83 TDP2 (0.51) PNMTADRA2ATDP2KMT2AMEN1
SCHEMBL2083495 0.82 PNMT (0.61) PNMTADRA2ATDP2KMT2AMEN1
SCHEMBL467557 0.80 PNMT (0.59) PNMTADRA2ATDP2KMT2AMEN1
SCHEMBL467503 0.79 PNMT (0.57) PNMTADRA2ATDP2KMT2AMEN1
SCHEMBL30709850 0.78 PNMT (0.65) PNMTADRA2ATDP2KMT2AMEN1
SCHEMBL9483063 0.78 PNMT (0.65) PNMTADRA2ATDP2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020120148-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-08-29 US disclosed
EP-1070046-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP disclosed
WO-1999051564-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 WO disclosed
EP-0583485-B1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-13 EP disclosed
US-5387710-A Ethanolamine derivatives having sympathomimetic and anti-pollakiuria activities FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-02-07 US disclosed
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed
WO-1993015041-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-05 WO 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-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP PNMT 2/4885ADRA2A 16/4885TDP2 2285/4885

“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.