SCHEMBL5145659

SCHEMBL5145659

CN(C)C(=O)COc1ccc2c(c1)CC(N)CCC2

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.58
HSD17B10 Q99714 2/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
TRPM8 Q7Z2W7 2/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.42
ADRB3 P13945 1/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 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
Acetic Acid SCHEMBL7586095 0.89 ACHE (0.63) ACHEHSD17B10DRD2DRD3ALOX15
Acetic Acid SCHEMBL7586109 0.89 ACHE (0.63) ACHEHSD17B10DRD2DRD3ALOX15
SCHEMBL8765782 0.85 ADRB3 (0.55) ACHEHSD17B10DRD2DRD3ALOX15
SCHEMBL5143747 0.82 ACHE (0.48) ACHEHSD17B10DRD2DRD3ALOX15
SCHEMBL13596183 0.81 ACHE (0.49) ACHEHSD17B10ALOX15TSHRTRPM8
SCHEMBL5722250 0.81 ACHE (0.65) ACHEDRD2DRD3CA1CA2
SCHEMBL5722251 0.81 ACHE (0.65) ACHEDRD2DRD3CA1CA2
SCHEMBL5679306 0.81 ACHE (0.63) ACHEHSD17B10DRD2DRD3ALOX15
Hydrochloric Acid SCHEMBL8766863 0.81 ADRB3 (0.51) ACHEHSD17B10DRD2DRD3ALOX15
SCHEMBL8766821 0.80 ADRB3 (0.51) ACHEHSD17B10ALOX15TSHRMAPT

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 6 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

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 ACHE 43/4885HSD17B10 2376/4885DRD2 141/4885

“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.