SCHEMBL6208716

SCHEMBL6208716

O=CNCC1(c2ccc(-c3ccccc3)cc2)CCCC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.65
SLC6A2 P23975 2/20 0.65
SLC6A3 Q01959 2/20 0.65
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.43
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL6492041 0.98 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3LMNASMN1; SMN2
SCHEMBL6209826 0.86 SLC6A3 (0.58) SLC6A4SLC6A2SLC6A3
SCHEMBL6240339 0.84 SLC6A3 (0.60) SLC6A4SLC6A2SLC6A3
SCHEMBL6231738 0.82 SLC6A3 (0.61) SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL6494934 0.81 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3LMNA
SCHEMBL6209359 0.80 LMNA (0.51) SLC6A4SLC6A2SLC6A3LMNASMN1; SMN2
SCHEMBL3517510 0.79 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL6208320 0.79 LMNA (0.50) SLC6A4SLC6A2SLC6A3LMNASMN1; SMN2
SCHEMBL6208456 0.79 RORC (0.48) SLC6A4SLC6A2SLC6A3LMNASMN1; SMN2
SCHEMBL6209698 0.78 RORC (0.47) SLC6A4SLC6A2SLC6A3LMNAMEN1

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 3525/4885SLC6A2 3869/4885SLC6A3 3645/4885

“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.