SCHEMBL5145409

SCHEMBL5145409

O=[N+]([O-])c1ccc2c(c1)CC(NCc1ccccc1)CCC2

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.74
POLB P06746 1/20 0.56
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
BACE1 P56817 2/20 0.51
NPY1R P25929 1/20 0.49
NPY5R Q15761 1/20 0.49
SIGMAR1 Q99720 1/20 0.47
FYN P06241 1/20 0.47
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8185940 0.93 GRIN2B (0.86) GRIN2BPOLBKDM4EALDH1A1BCHE
Hydrochloric Acid SCHEMBL8187601 0.92 GRIN2B (0.84) GRIN2BPOLBBCHEACHEBACE1
SCHEMBL8186614 0.88 GRIN2B (0.73) GRIN2BPOLBBCHEACHEBACE1
Hydrochloric Acid SCHEMBL8187663 0.87 GRIN2B (0.71) GRIN2BPOLBBCHEACHEBACE1
SCHEMBL8192687 0.81 GRIN2B (0.67) GRIN2BPOLBKDM4EALDH1A1BCHE
Hydrochloric Acid SCHEMBL8193188 0.80 GRIN2B (0.65) GRIN2BPOLBKDM4EALDH1A1BCHE
SCHEMBL8185330 0.80 KDM4E (0.71) GRIN2BPOLBKDM4EALDH1A1BCHE
SCHEMBL8766323 0.80 GRIN2B (0.71) GRIN2BPOLBKDM4EALDH1A1BCHE
SCHEMBL5142084 0.79 GRIN2B (0.82) GRIN2BSIGMAR1FYN
SCHEMBL5141955 0.79 GRIN2B (0.59) GRIN2BSIGMAR1FYN

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 8 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-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 GRIN2B 4555/4885POLB 1386/4885KDM4E 3117/4885

“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.