SCHEMBL14507484

SCHEMBL14507484

NCNCC(O)COc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
OPRM1 P35372 1/20 0.63
OPRD1 P41143 1/20 0.63
ADRB1 P08588 3/20 0.61
ADRB3 P13945 3/20 0.61
CYP2D6 P10635 2/20 0.61
ADRB2 P07550 2/20 0.61
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 1/20 0.56
KDM1A O60341 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
ALDH1A1 P00352 1/20 0.55
DPP4 P27487 1/20 0.55
ATM Q13315 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL11606524 0.89 MEN1 (0.71) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL7327969 0.87 MEN1 (0.68) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL11129368 0.84 MEN1 (0.65) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL25251683 0.83 ADRB1 (0.66) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL7364366 0.83 MEN1 (0.63) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL11229872 0.82 CYP2D6 (0.65) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL9014015 0.82 MEN1 (0.62) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL8825150 0.81 MEN1 (0.70) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL6322151 0.81 ADRB1 (0.67) MEN1KMT2AOPRM1OPRD1ADRB1
SCHEMBL6322149 0.81 ADRB1 (0.67) MEN1KMT2AOPRM1OPRD1ADRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase ARTESIAN THERAPECUTICS, INC (US) 2007-05-24 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-20070117978-A1 Cardiotonic compounds with inhibitory activity against beta-adrenergic receptors and phosphodiesterase PDE3A, PDE4A, PDE3B MEN1 1556/4885KMT2A 4662/4885OPRM1 1290/4885

“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.