SCHEMBL21648411

SCHEMBL21648411

CC(C)CNCCCNCCCNCc1cccc(-c2ccc(-c3cccc(CNCCCNCCCNCC(C)C)c3)c(CNCCCNCCCNCC(C)C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.40
HTR1A P08908 2/20 0.40
CHRM2 P08172 3/20 0.40
MAP4K4 O95819 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
CXCR4 P61073 1/20 0.35
ERAP2 Q6P179 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35
LNPEP Q9UIQ6 1/20 0.35
VSIR Q9H7M9 1/20 0.35

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
Hydrochloric Acid SCHEMBL29692634 0.99 SCN8A (0.39) SCN8AHTR1ACHRM2MAP4K4CYP1A2
SCHEMBL21648402 0.86 SCN8A (0.49) SCN8AHTR1ACHRM2MAP4K4CYP1A2
Hydrochloric Acid SCHEMBL29885630 0.85 SCN8A (0.48) SCN8AHTR1ACHRM2MAP4K4CYP1A2
SCHEMBL16264585 0.84 CHRM2 (0.45) SCN8AHTR1ACHRM2MAP4K4CYP1A2
SCHEMBL24720378 0.84 CYP1A2 (0.53) SCN8ACHRM2CYP1A2CYP2D6CYP2C19
SCHEMBL21648307 0.84 CYP1A2 (0.53) SCN8ACHRM2CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL29778279 0.83 CHRM2 (0.44) SCN8AHTR1ACHRM2MAP4K4CYP1A2
Hydrochloric Acid SCHEMBL29885598 0.83 CYP1A2 (0.55) SCN8ACHRM2CYP1A2CYP2D6CYP2C19
SCHEMBL16264651 0.81 CHRM2 (0.53) SCN8ACHRM2CYP1A2CYP2D6CYP2C19
SCHEMBL21648277 0.80 HRH4 (0.49) HTR1ACHRM2CYP1A2CYP2D6CXCR4

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 SCN8A 4868/4885HTR1A 3092/4885CHRM2 4059/4885
US-20200031757-A1 COMPOSITIONS AND METHODS COMPRISING A TRIARYL POLYAMINE SRM, PARG, PARN SCN8A 4868/4885HTR1A 3092/4885CHRM2 4059/4885

“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.