SCHEMBL5144036

SCHEMBL5144036

[O]CC(=O)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
NPC1 O15118 3/20 0.71
HTT P42858 2/20 0.71
RAB9A P51151 2/20 0.71
PAX8 Q06710 2/20 0.71
GLA P06280 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
TRPM8 Q7Z2W7 1/20 0.54
JAK2 O60674 1/20 0.53
LTB4R2 Q9NPC1 3/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
RECQL P46063 1/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
PDK1 Q15118 1/20 0.50
RNF4 P78317 1/20 0.49

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
SCHEMBL5144037 0.85 NPC1 (0.71) ALDH1A1NPC1HTTRAB9APAX8
SCHEMBL1927016 0.84 ALDH1A1 (0.69) ALDH1A1NPC1HTTRAB9APAX8
SCHEMBL5452605 0.83 NPC1 (1.00) ALDH1A1NPC1HTTRAB9APAX8
SCHEMBL12679649 0.83 NPC1 (0.69) ALDH1A1NPC1HTTRAB9APAX8
SCHEMBL9471518 0.83 NPC1 (0.69) ALDH1A1NPC1HTTRAB9APAX8
SCHEMBL5804310 0.83 ALDH1A1 (0.69) ALDH1A1NPC1HTTRAB9APAX8
SCHEMBL9363123 0.81 NPC1 (0.67) ALDH1A1NPC1HTTRAB9APAX8
SCHEMBL29904838 0.81 NPC1 (0.67) ALDH1A1NPC1HTTRAB9APAX8
SCHEMBL12679650 0.81 NPC1 (0.67) ALDH1A1NPC1HTTRAB9APAX8
SCHEMBL12679655 0.79 ALDH1A1 (0.63) ALDH1A1NPC1HTTRAB9APAX8

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 ALDH1A1 335/4885NPC1 3445/4885HTT 1581/4885

“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.