SCHEMBL5146433

SCHEMBL5146433

CCCCCCCCN(C(=O)C[O])c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.75
RAB9A P51151 2/20 0.75
PAX8 Q06710 2/20 0.75
JAK2 O60674 1/20 0.75
TP53 P04637 4/20 0.58
ALDH1A1 P00352 5/20 0.55
GPX4 P36969 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
TACR1 P25103 1/20 0.46
CNR2 P34972 1/20 0.45
ICMT O60725 1/20 0.44
ALB P02768 1/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 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
SCHEMBL5143727 0.93 NPC1 (0.65) NPC1RAB9APAX8JAK2TP53
SCHEMBL9337705 0.89 NPC1 (0.77) NPC1RAB9APAX8JAK2TP53
SCHEMBL29266757 0.87 NPC1 (0.75) NPC1RAB9APAX8JAK2TP53
SCHEMBL5146437 0.87 NPC1 (0.75) NPC1RAB9APAX8JAK2TP53
SCHEMBL14229367 0.87 TP53 (0.78) NPC1RAB9APAX8JAK2TP53
SCHEMBL5993380 0.86 NPC1 (1.00) NPC1RAB9APAX8JAK2TP53
SCHEMBL14229916 0.85 TP53 (0.81) NPC1RAB9APAX8JAK2TP53
SCHEMBL10960608 0.85 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53
SCHEMBL10961189 0.85 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53
SCHEMBL10962228 0.85 NPC1 (0.71) NPC1RAB9APAX8JAK2TP53

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 NPC1 3445/4885RAB9A 2413/4885PAX8 718/4885

“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.