SCHEMBL25810029

SCHEMBL25810029

c1ccc(CCCNCCCN2CCCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.71
SCN5A Q14524 1/20 0.67
LTA4H P09960 1/20 0.64
HRH3 Q9Y5N1 1/20 0.63
SLC6A3 Q01959 1/20 0.61
DPP7 Q9UHL4 1/20 0.57
GRIN2B Q13224 2/20 0.55

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
SCHEMBL9866577 0.94 SIGMAR1 (0.79) SIGMAR1SCN5ALTA4HHRH3SLC6A3
SCHEMBL13661556 0.94 SIGMAR1 (0.79) SIGMAR1SCN5ALTA4HHRH3SLC6A3
SCHEMBL83687 0.86 SIGMAR1 (0.86) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
SCHEMBL5708589 0.85 SIGMAR1 (0.73) SIGMAR1LTA4H
SCHEMBL16511543 0.85 SCN5A (0.72) SIGMAR1SCN5ALTA4HHRH3
SCHEMBL113897 0.84 SIGMAR1 (0.96) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
Ammonia Solution, Strong SCHEMBL28704893 0.84 SIGMAR1 (0.83) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
SCHEMBL10601122 0.84 SIGMAR1 (0.96) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
Hydrochloric Acid SCHEMBL8037018 0.84 SIGMAR1 (0.83) SIGMAR1LTA4HHRH3SLC6A3GRIN2B
SCHEMBL25809972 0.84 SCN5A (0.68) SIGMAR1SCN5AHRH3SLC6A3

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-20230219914-A1 PROCESS FOR PREPARING PITOLISANT HYDROCHLORIDE AND SOLID-STATE FORMS THEREOF Nuray Chemicals Private Limiited (IN) 2023-07-13 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-20230219914-A1 PROCESS FOR PREPARING PITOLISANT HYDROCHLORIDE AND SOLID-STATE FORMS THEREOF PITHD1, MLN, TPP1 SIGMAR1 3365/4885SCN5A 1031/4885LTA4H 1928/4885

“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.