SCHEMBL11241719

SCHEMBL11241719

O=[N+]([O-])c1ccccc1NCCNCC(O)COc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.62
ADRB3 P13945 6/20 0.62
ADRB2 P07550 4/20 0.62
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 2/20 0.62
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
CYP1A2 P05177 1/20 0.50
KAT2B Q92831 2/20 0.49
ATM Q13315 1/20 0.48
PKM P14618 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL30001137 1.00 ADRB1 (0.62) ADRB1ADRB3ADRB2NPC1RAB9A
SCHEMBL11230720 0.81 ADRB1 (0.67) ADRB1ADRB3ADRB2SMN1; SMN2MAPT
SCHEMBL30002216 0.80 MEN1 (0.59) ADRB1ADRB3ADRB2SMN1; SMN2MAPT
SCHEMBL11243698 0.80 MEN1 (0.59) ADRB1ADRB3ADRB2SMN1; SMN2MAPT
SCHEMBL11652504 0.80 ADRB1 (0.54) ADRB1ADRB3ADRB2SMN1; SMN2MAPT
SCHEMBL11231197 0.79 ADRB1 (0.59) ADRB1ADRB3ADRB2SMN1; SMN2MAPT
SCHEMBL30001529 0.79 ADRB1 (0.59) ADRB1ADRB3ADRB2SMN1; SMN2MAPT
SCHEMBL11230234 0.79 ADRB1 (0.66) ADRB1ADRB3ADRB2SMN1; SMN2MAPT
SCHEMBL11241745 0.78 MAPT (0.60) ADRB1ADRB3ADRB2NPC1RAB9A
Hydrochloric Acid SCHEMBL11226912 0.78 ADRB1 (0.61) ADRB1ADRB3ADRB2SMN1; SMN2MAPT

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-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US claimed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 US disclosed
EP-3618819-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-11 EP disclosed
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF Exciva GmbH (DE) 2020-03-05 US disclosed
WO-2018204713-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF EXCIVA UG (HAFTUNGSBESCHRÄNKT) (DE) 2018-11-08 WO disclosed
US-4356322-A ADRENERGIC STIMULANTS; CARDIOTONIC AGENTS VEB ARZNEIMITTELWERK DRESDEN (DD) 1982-10-26 US 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 (2 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-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof HTR2A, HTR2C, CYP3A43 ADRB1 129/4885ADRB3 79/4885ADRB2 61/4885
US-20200069674-A1 TARGETED DRUG RESCUE WITH NOVEL COMPOSITIONS, COMBINATIONS, AND METHODS THEREOF HTR2A, HTR2C, CYP3A43 ADRB1 129/4885ADRB3 79/4885ADRB2 61/4885

“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.