SCHEMBL6502368

SCHEMBL6502368

NCC1(c2ccc(OCc3ccccc3)cc2)CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.60
SLC6A4 P31645 5/20 0.60
SLC6A2 P23975 3/20 0.60
DPP4 P27487 2/20 0.60
MAOB P27338 3/20 0.51
MAOA P21397 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RORC P51449 1/20 0.49
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 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
SCHEMBL6210261 0.98 DPP4 (0.62) SLC6A3SLC6A4SLC6A2DPP4MAOB
SCHEMBL6210983 0.95 DPP4 (0.57) SLC6A3SLC6A4SLC6A2DPP4MAOB
SCHEMBL13650218 0.86 TACR1 (0.56) SLC6A3SLC6A4SLC6A2DPP4MAOB
SCHEMBL6209701 0.82 PARP10 (0.52) SLC6A3SLC6A2MAOBMAOARAB9A
SCHEMBL6494035 0.81 PARP10 (0.54) SLC6A3SLC6A2MAOBMAOAGAA
Ammonia Solution, Strong SCHEMBL6524528 0.81 MAOB (0.51) SLC6A3SLC6A2MAOBMAOAGAA
SCHEMBL6209698 0.80 RORC (0.47) SLC6A3SLC6A4SLC6A2MAOBMAOA
SCHEMBL11896096 0.80 RORC (0.45) SLC6A3SLC6A2MAOBMAOAGAA
SCHEMBL17072362 0.79 LMNA (0.54) SLC6A3SLC6A2MAOBMAOAGAA
SCHEMBL10041856 0.79 LMNA (0.54) SLC6A3SLC6A2MAOBMAOAGAA

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 SLC6A3 3645/4885SLC6A4 3525/4885SLC6A2 3869/4885

“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.