SCHEMBL23795692

SCHEMBL23795692

COc1ccc2nccc(CC3CC4CCN3CC4C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.49
KDM4E B2RXH2 9/20 0.49
ALDH1A1 P00352 7/20 0.49
HSD17B10 Q99714 5/20 0.49
ADRA2A P08913 4/20 0.49
SLC6A4 P31645 4/20 0.49
OPRM1 P35372 4/20 0.49
KCNH2 Q12809 4/20 0.49
HPGD P15428 4/20 0.49
CYP3A4 P08684 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 2/20 0.49
SLC6A3 Q01959 2/20 0.49
CHRM2 P08172 1/20 0.49
SLC22A1 O15245 3/20 0.47
ABCB11 O95342 3/20 0.47
ABCB1 P08183 3/20 0.47
SCN1A P35498 3/20 0.47
SCN2A Q99250 3/20 0.47

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
SCHEMBL2760468 0.88 CYP2D6 (0.64) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
SCHEMBL14535338 0.88 CYP2D6 (0.64) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
SCHEMBL13283984 0.86 KDM4E (0.65) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
SCHEMBL30097942 0.86 KDM4E (0.65) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
SCHEMBL30225036 0.86 KDM4E (0.65) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
SCHEMBL8328390 0.86 KDM4E (0.65) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
SCHEMBL15278795 0.86 KDM4E (0.65) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
SCHEMBL2760465 0.86 KDM4E (0.65) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A
SCHEMBL12870505 0.84 CYP2D6 (0.45) CYP2D6KDM4EALDH1A1CYP3A4NPSR1
SCHEMBL522674 0.77 CYP2D6 (0.63) CYP2D6KDM4EALDH1A1HSD17B10ADRA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287032-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME LLC (US) 2023-09-14 US disclosed
US-20230174567-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES MERCK SHARP & DOHME LLC (US) 2023-06-08 US disclosed
US-11344646-B2 Use of fluorescent polymers in marking compositions for the diagnostic determination of cleaning performance ECOLAB USA INC. (US) 2022-05-31 US disclosed
US-20210275710-A1 USE OF FLUORESCENT POLYMERS IN MARKING COMPOSITIONS FOR THE DIAGNOSTIC DETERMINATION OF CLEANING PERFORMANCE ECOLAB USA INC (US) 2021-09-09 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-20230287032-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES NUDT1, NT5C3B, DUT CYP2D6 922/4885KDM4E 2751/4885ALDH1A1 1354/4885
US-20230174567-A1 SYNTHESIS OF FLUORINATED NUCLEOTIDES NUDT1, NT5C3B, MTAP CYP2D6 1067/4885KDM4E 2479/4885ALDH1A1 1391/4885

“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.