SCHEMBL5494953

SCHEMBL5494953

NC(=O)c1ccnc(NCCCCNC(=O)[CH]Cc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
PIK3CB P42338 1/20 0.39
HPGD P15428 1/20 0.39
OGA O60502 2/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
HRH2 P25021 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR5A P47898 1/20 0.37
HTR6 P50406 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL5492375 0.94 ADRA1D (0.39) ADRA1DADRA1AADRA1BPIK3CBTGM2
SCHEMBL5499850 0.78 HPGD (0.46) HPGDSLC6A2SLC6A3PTAFRTAAR1
SCHEMBL19476571 0.73 HRH4 (0.52) ADRA1DADRA1AADRA1BHPGDHRH4
SCHEMBL6167127 0.73 TAAR1 (0.48) HPGDTGM2KDM4ETAAR1
SCHEMBL9411677 0.72 DRD2 (0.48) ADRA1DADRA1AADRA1BHTR7
SCHEMBL9471414 0.71 DRD2 (0.50) ADRA1DADRA1AADRA1BHTR7KDM4E
SCHEMBL5933899 0.69 EGFR (0.61) HPGD
SCHEMBL18343734 0.68 ALDH1A1 (0.46) HPGDTAAR1
SCHEMBL9411671 0.68 LTA4H (0.46) ADRA1DADRA1AADRA1BHTR7MAPK8
SCHEMBL9196044 0.67 ADRA1D (0.52) ADRA1DADRA1AADRA1BHPGDMAPK8

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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 ADRA1D 1837/4885ADRA1A 851/4885ADRA1B 1239/4885

“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.