SCHEMBL5142005

SCHEMBL5142005

Oc1ccc2c(c1)CC(NCc1ccccc1)CCC2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.59
FYN P06241 1/20 0.59
DRD3 P35462 5/20 0.53
DRD2 P14416 5/20 0.53
DRD4 P21917 3/20 0.53
SLC6A5 Q9Y345 3/20 0.53
SIGMAR1 Q99720 1/20 0.52
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44

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
SCHEMBL8765625 1.00 GRIN2B (0.59) GRIN2BFYNDRD3DRD2DRD4
Hydrochloric Acid SCHEMBL5144064 0.99 GRIN2B (0.58) GRIN2BFYNDRD3DRD2DRD4
Hydrochloric Acid SCHEMBL8765161 0.99 GRIN2B (0.58) GRIN2BFYNDRD3DRD2DRD4
SCHEMBL8765804 0.96 GRIN2B (0.58) GRIN2BFYNDRD3DRD2DRD4
SCHEMBL5146440 0.95 GRIN2B (0.59) GRIN2BFYNDRD3DRD2DRD4
SCHEMBL9304253 0.92 GRIN2B (0.71) GRIN2BFYNDRD3DRD2DRD4
SCHEMBL9306071 0.92 GRIN2B (0.71) GRIN2BFYNDRD3DRD2DRD4
SCHEMBL6133948 0.92 GRIN2B (0.71) GRIN2BFYNDRD3DRD2DRD4
Bromide SCHEMBL9304413 0.91 GRIN2B (0.69) GRIN2BFYNDRD3DRD2DRD4
Bromide SCHEMBL9303647 0.91 GRIN2B (0.69) GRIN2BFYNDRD3DRD2DRD4

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 GRIN2B 4555/4885FYN 4753/4885DRD3 175/4885

“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.