SCHEMBL6490801

SCHEMBL6490801

NC(=O)CC1(c2ccc(Br)cc2)CCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DPP4 P27487 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL6491320 0.98 HSD11B1 (0.51) HSD11B1SMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL4239672 0.84 HSD11B1 (0.68) HSD11B1SMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL15873720 0.83 HSD11B1 (0.49) HSD11B1SMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL17761311 0.83 HSD11B1 (0.71) HSD11B1SLC6A3SLC6A4
SCHEMBL12836588 0.83 SLC6A4 (0.59) HSD11B1ALDH1A1SLC6A3SLC6A4
SCHEMBL15862926 0.83 HSD11B1 (0.41) HSD11B1SMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL4866308 0.82 DPP4 (0.58) HSD11B1SMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL12836593 0.81 SLC6A3 (0.62) HSD11B1ALDH1A1SLC6A3SLC6A4
SCHEMBL17761201 0.81 HSD11B1 (0.51) HSD11B1ALDH1A1L3MBTL1SLC6A3SLC6A4
SCHEMBL17761297 0.81 HSD11B1 (0.73) HSD11B1SLC6A3SLC6A4

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-20050234096-A1 Tetrahydroisoquinoline derivatives BAYER HEALTHCARE AG (DE) 2005-10-20 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-20050234096-A1 Tetrahydroisoquinoline derivatives PPARD, PPARG, PPARA HSD11B1 213/4885SMN1; SMN2 4874/4885ALDH1A1 2218/4885

“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.