SCHEMBL5146680

SCHEMBL5146680

CN(C)CN(Cc1ccccc1)C(=O)C[O]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.50
ESR1 P03372 1/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
TSPO P30536 2/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PAX8 Q06710 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL5146692 0.86 NPC1 (0.51) NPC1RAB9ALMNAESR1POLB
SCHEMBL5146521 0.85 LMNA (0.55) NPC1RAB9ALMNAESR1POLB
SCHEMBL6314236 0.79 LMNA (0.49) NPC1RAB9ALMNAESR1POLB
SCHEMBL544271 0.78 NPC1 (0.75) NPC1RAB9APOLBKMT2AMEN1
SCHEMBL1570127 0.74 TAAR1 (0.57) NPC1RAB9AKMT2AMEN1L3MBTL1
Bicarbonate SCHEMBL4671806 0.73 ALDH1A1 (0.81) NPC1RAB9ALMNAKMT2AMEN1
Bicarbonate SCHEMBL14811027 0.73 ALDH1A1 (0.81) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL3125812 0.73 NPC1 (0.52) NPC1RAB9ALMNAESR1POLB
SCHEMBL6391784 0.73 MEN1 (0.60) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL825414 0.72 LMNA (0.63) NPC1RAB9ALMNAKMT2AMEN1

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 2413/4885LMNA 1888/4885

“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.