Heptaminol

Heptaminol

SCHEMBL4367181

CC(N)CCCC(C)(C)O.N

nearest known ligand 0.95

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.40
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36

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
Heptaminol SCHEMBL152610 0.97 OPRM1 (0.46) OPRM1ALDH1A1TDP1TP53GABRP
Heptaminol SCHEMBL7530730 0.97 OPRM1 (0.46) OPRM1ALDH1A1TDP1TP53GABRP
Heptaminol SCHEMBL3163491 0.97 OPRM1 (0.46) OPRM1ALDH1A1TDP1TP53GABRP
Heptaminol SCHEMBL317122 0.95 OPRM1 (0.44) OPRM1ALDH1A1TDP1TP53GABRP
Heptaminol SCHEMBL1649354 0.93 OPRM1 (0.42) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL10184723 0.93 OPRM1 (0.48) OPRM1ALDH1A1TDP1TP53GABRP
Heptaminol SCHEMBL28891669 0.87 OPRM1 (0.38) OPRM1ALDH1A1TDP1TP53GABRP
Heptaminol SCHEMBL11141578 0.85 TP53 (0.52) OPRM1ALDH1A1TDP1TP53GABRP
SCHEMBL3154871 0.84
SCHEMBL25703625 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585850-B2 Stable and active complexes of adenosine and adenosine phosphates with aminoalcohols for the treatment of pulmonary artery hypertension, cardiac failure and other diseases ADENOBIO N.V. (NL) 2009-09-08 US disclosed
WO-2005074946-A1 STABLE AND ACTIVE COMPLEXES OF ADENOSINE AND ADENOSINE PHOSPHATES WITH AMINOALCOHOLS FOR THE TREATMENT OF PULMONARY ARTERY HYPERTENSION, CARDIAC FAILURE AND OTHER DISEASES ADENOBIO N.V. (NL) 2005-08-18 WO disclosed
US-20050176675-A1 Stable and active complexes of adenosine and adenosine phosphates with aminoalcohols for the treatment of pulmonary artery hypertension, cardiac failure and other diseases ADENOBIO N.V. (NL) 2005-08-11 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-20050176675-A1 Stable and active complexes of adenosine and adenosine phosphates with aminoalcohols for the treatment of pulmonary artery hypertension, cardiac failure and other diseases ADK, ADORA3, ADORA1 OPRM1 3921/4885ALDH1A1 1498/4885TDP1 1201/4885

“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.