SCHEMBL11230720

SCHEMBL11230720

O=[N+]([O-])c1ccc(NCCNCC(O)COc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.67
ADRB3 P13945 8/20 0.67
ADRB2 P07550 5/20 0.67
PKM P14618 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
ABCB1 P08183 2/20 0.52
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.50

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
SCHEMBL11230234 0.88 ADRB1 (0.66) ADRB1ADRB3ADRB2PKMTDP1
Hydrochloric Acid SCHEMBL11247359 0.87 ADRB1 (0.68) ADRB1ADRB3ADRB2PKMTDP1
SCHEMBL11244044 0.85 MAPT (0.69) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL7014595 0.85 ADRB1 (0.81) ADRB1ADRB3ADRB2PKMALDH1A1
SCHEMBL7014599 0.85 ADRB1 (0.81) ADRB1ADRB3ADRB2PKMALDH1A1
Hydrochloric Acid SCHEMBL11230526 0.84 MAPT (0.68) ADRB1ADRB3ADRB2MEN1KMT2A
SCHEMBL7013581 0.83 ADRB1 (0.71) ADRB1ADRB3ADRB2PKMALDH1A1
SCHEMBL9655116 0.82 ADRB1 (0.74) ADRB1ADRB3ADRB2PKMALDH1A1
SCHEMBL11237765 0.82 ADRB1 (0.64) ADRB1ADRB3ADRB2MAPK1MEN1
SCHEMBL11233869 0.82 ADRB1 (0.64) ADRB1ADRB3ADRB2ALDH1A1MAPK1

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 4 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
CN-110831584-B Targeted drug rescue with novel compositions, combinations and methods thereof 埃克塞瓦有限责任公司 2023-03-10 CN disclosed
US-11478467-B2 Targeted drug rescue with novel compositions, combinations, and methods thereof Exciva GmbH (DE) 2022-10-25 US 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 (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-11478467-B2 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.