SCHEMBL21648307

SCHEMBL21648307

CCCCCCNCCCNCCCNCc1cccc(-c2ccc(-c3cccc(CNCCCNCCCNCCCCCC)c3)c(CNCCCNCCCNCCCCCC)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP2C19 P33261 3/20 0.53
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
CHRM2 P08172 3/20 0.47
LMNA P02545 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL24720378 1.00 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C19HRH4HRH3
Hydrochloric Acid SCHEMBL29885598 0.99 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL21648321 0.85 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C19HRH4HRH3
Hydrochloric Acid SCHEMBL29692481 0.84 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL16436979 0.84 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL16436983 0.84 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL21648411 0.84 SCN8A (0.40) CYP1A2CYP2D6CYP2C19CHRM2SCN8A
Hydrochloric Acid SCHEMBL29692634 0.83 SCN8A (0.39) CYP1A2CYP2D6CYP2C19CHRM2SCN8A
Hydrochloric Acid SCHEMBL29692521 0.82 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL29864521 0.81 CYP1A2 (0.64) CYP1A2CYP2D6CYP2C19HRH4HRH3

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
EP-3606344-B1 COMPOSITIONS AND METHODS COMPRISING A TRIARYL POLYAMINE CURZA GLOBAL LLC (US) 2022-08-17 EP disclosed
US-11352315-B2 Compositions and methods comprising a triaryl polyamine CURZA GLOBAL, LLC (US) 2022-06-07 US disclosed
US-20200031757-A1 COMPOSITIONS AND METHODS COMPRISING A TRIARYL POLYAMINE CURZA GLOBAL, LLC (US) 2020-01-30 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-11352315-B2 Compositions and methods comprising a triaryl polyamine SRM, PARG, PARN CYP1A2 3844/4885CYP2D6 4723/4885CYP2C19 3882/4885
US-20200031757-A1 COMPOSITIONS AND METHODS COMPRISING A TRIARYL POLYAMINE SRM, PARG, PARN CYP1A2 3844/4885CYP2D6 4723/4885CYP2C19 3882/4885

“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.