SCHEMBL6209359

SCHEMBL6209359

O=CNCC1(c2ccc(Br)cc2)CCCC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
SLC6A4 P31645 9/20 0.42
SLC6A3 Q01959 8/20 0.42
SLC6A2 P23975 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.36

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
SCHEMBL6208320 0.98 LMNA (0.50) LMNASMN1; SMN2ALDH1A1L3MBTL1POLB
SCHEMBL6208716 0.80 SLC6A4 (0.65) LMNASMN1; SMN2ALDH1A1L3MBTL1POLB
SCHEMBL6209826 0.79 SLC6A3 (0.58) SLC6A4SLC6A3SLC6A2
SCHEMBL6492041 0.79 SLC6A4 (0.68) LMNASMN1; SMN2L3MBTL1SLC6A4SLC6A3
SCHEMBL7573036 0.79 SOAT2 (0.51) LMNAALDH1A1SLC6A4SLC6A3SLC6A2
SCHEMBL6240339 0.78 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2
SCHEMBL6231738 0.75 SLC6A3 (0.61) LMNASLC6A4SLC6A3SLC6A2
SCHEMBL16823453 0.75 SLC6A4 (0.62) LMNASMN1; SMN2ALDH1A1L3MBTL1POLB
SCHEMBL6494934 0.74 SLC6A4 (0.63) LMNASLC6A4SLC6A3SLC6A2
SCHEMBL6208456 0.72 RORC (0.48) LMNASMN1; SMN2L3MBTL1POLBSLC6A4

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 LMNA 2034/4885SMN1; 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.