SCHEMBL23666409

SCHEMBL23666409

CN1CCCN(C)N(C)N(C)CCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CHRM2 P08172 2/20 0.33
ADRA2A P08913 2/20 0.33
CHRM1 P11229 2/20 0.33
DRD1 P21728 2/20 0.33
OPRM1 P35372 2/20 0.33
DRD3 P35462 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
CYP2D6 P10635 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR1A P08908 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8584337 0.89
SCHEMBL7619830 0.86 KDM4E (0.36) SMN1; SMN2KDM4ECHRM2ADRA2ACHRM1
SCHEMBL152779 0.82 TDP1 (0.40) KDM4ETDP1LMNAKMT2AAPOBEC3A
SCHEMBL10211088 0.82 TDP1 (0.40) KDM4ETDP1LMNAKMT2AAPOBEC3A
SCHEMBL16203348 0.82 TDP1 (0.40) KDM4ETDP1LMNAKMT2AAPOBEC3A
SCHEMBL8432760 0.79 HRH3 (0.33) KCNH2CYP2D6CYP3A4
SCHEMBL23666391 0.79 DRD1 (0.39) CHRM2ADRA2ACHRM1DRD1OPRM1
SCHEMBL1351072 0.79 HRH3 (0.33) KCNH2CYP2D6CYP3A4
SCHEMBL82606 0.78
SCHEMBL7542075 0.78 TDP1 (0.44) KDM4ETDP1LMNAKMT2AAPOBEC3A

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-20210222294-A1 METAL TRIAMINE COMPOUND, METHOD FOR PREPARING THE SAME, AND COMPOSITION FOR DEPOSITING METAL-CONTAINING THIN FILM INCLUDING THE SAME DNF CO., LTD. (KR) 2021-07-22 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-20210222294-A1 METAL TRIAMINE COMPOUND, METHOD FOR PREPARING THE SAME, AND COMPOSITION FOR DEPOSITING METAL-CONTAINING THIN FILM INCLUDING THE SAME ASH2L, TRMT1, SETDB1 SMN1; SMN2 1447/4885KDM4E 447/4885CHRM2 1276/4885

“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.