SCHEMBL21648320

SCHEMBL21648320

CC(C)CNCCCNCCCNCc1ccc(-c2ccccc2-c2ccc(CNCCCNCCCNCC(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.53
▸ OPRK1 P41145 6/20 0.53
▸ KCNH2 Q12809 1/20 0.49
▸ PDCD1 Q15116 1/20 0.47
▸ CD274 Q9NZQ7 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CHRM2 P08172 4/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MAOA P21397 1/20 0.43

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 SCHEMBL29692572 0.98 OPRM1 (0.52) OPRM1OPRK1KCNH2PDCD1CD274
SCHEMBL16439765 0.85 CHRM2 (0.63) CHRM2ALDH1A1MAOA
SCHEMBL21648402 0.84 SCN8A (0.49) CHRM2CYP1A2CYP2D6MAOA
SCHEMBL21648277 0.84 HRH4 (0.49) OPRM1OPRK1HRH4HRH3CHRM2
Hydrochloric Acid SCHEMBL29885630 0.83 SCN8A (0.48) CHRM2CYP1A2CYP2D6MAOA
Hydrochloric Acid SCHEMBL29692466 0.82 ALDH1A1 (0.49) OPRM1OPRK1HRH4HRH3CHRM2
SCHEMBL21632665 0.81 OPRM1 (0.39) OPRM1OPRK1KCNH2ALDH1A1CYP1A2
SCHEMBL16264590 0.78 CHRM2 (0.45) HRH4HRH3CHRM2SMN1; SMN2ALDH1A1
SCHEMBL16264651 0.78 CHRM2 (0.53) CHRM2CYP1A2CYP2D6MAOA
SCHEMBL21648439 0.77 HRH4 (0.42) OPRM1OPRK1HRH4HRH3CHRM2

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 OPRM1 3888/4885OPRK1 3775/4885KCNH2 2408/4885
US-20200031757-A1 COMPOSITIONS AND METHODS COMPRISING A TRIARYL POLYAMINE SRM, PARG, PARN OPRM1 3888/4885OPRK1 3775/4885KCNH2 2408/4885

“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.

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