SCHEMBL6208549

SCHEMBL6208549

NC(=O)CC1(c2ccc(-c3ccccc3)cc2)CCCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.61
SLC6A3 Q01959 4/20 0.61
SLC6A2 P23975 3/20 0.61
HSD11B1 P28845 1/20 0.50
DPP4 P27487 1/20 0.47
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
AKR1C1 Q04828 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
SCHEMBL6208426 0.98 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2HSD11B1DPP4
SCHEMBL4866308 0.90 DPP4 (0.58) SLC6A4SLC6A3SLC6A2HSD11B1DPP4
SCHEMBL17761202 0.88 DPP4 (0.56) SLC6A4SLC6A3SLC6A2HSD11B1DPP4
SCHEMBL6499750 0.86 HSD11B1 (0.65) SLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL6494518 0.84 HSD11B1 (0.68) SLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL6500186 0.82 SLC6A3 (0.57) SLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL6494941 0.81 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2HSD11B1
SCHEMBL15873720 0.80 HSD11B1 (0.49) SLC6A4SLC6A3HSD11B1DPP4SMN1; SMN2
SCHEMBL12836588 0.80 SLC6A4 (0.59) SLC6A4SLC6A3SLC6A2HSD11B1ALDH1A1
SCHEMBL17761311 0.80 HSD11B1 (0.71) SLC6A4SLC6A3SLC6A2HSD11B1

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.