SCHEMBL6208426

SCHEMBL6208426

NC(=O)CC1(c2ccc(-c3ccccc3)cc2)CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.64
SLC6A3 Q01959 5/20 0.64
SLC6A2 P23975 4/20 0.64
HSD11B1 P28845 2/20 0.53
DPP4 P27487 1/20 0.46
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CACNA1G O43497 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL6208549 0.98 SLC6A4 (0.61) SLC6A4SLC6A3SLC6A2HSD11B1DPP4
SCHEMBL17761202 0.90 DPP4 (0.56) SLC6A4SLC6A3SLC6A2HSD11B1DPP4
SCHEMBL4866308 0.89 DPP4 (0.58) SLC6A4SLC6A3SLC6A2HSD11B1DPP4
SCHEMBL6494518 0.86 HSD11B1 (0.68) SLC6A4SLC6A3SLC6A2HSD11B1CACNA1G
SCHEMBL6499750 0.84 HSD11B1 (0.65) SLC6A4SLC6A3SLC6A2HSD11B1CACNA1G
SCHEMBL6494941 0.82 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL12836593 0.81 SLC6A3 (0.62) SLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL6491320 0.81 HSD11B1 (0.51) SLC6A4SLC6A3SLC6A2HSD11B1LMNA
SCHEMBL17761201 0.81 HSD11B1 (0.51) SLC6A4SLC6A3SLC6A2HSD11B1L3MBTL1
SCHEMBL17761297 0.81 HSD11B1 (0.73) SLC6A4SLC6A3SLC6A2HSD11B1CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234096-A1 Tetrahydroisoquinoline derivatives BAYER HEALTHCARE AG (DE) 2005-10-20 US disclosed
EP-1507763-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Bayer HealthCare AG (DE) 2005-02-23 EP disclosed
WO-2003097607-A1 TETRAHYDROISOQUINOLINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-27 WO 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 SLC6A4 3525/4885SLC6A3 3645/4885SLC6A2 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.