SCHEMBL6209698

SCHEMBL6209698

O=CNCC1(c2ccc(OCc3ccccc3)cc2)CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
BCHE P06276 1/20 0.46
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
PARP10 Q53GL7 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GSK3B P49841 1/20 0.42
BACE1 P56817 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL6208456 0.99 RORC (0.48) RORCBCHESLC6A4SLC6A2SLC6A3
SCHEMBL6210960 0.96 BCHE (0.47) RORCBCHESLC6A2SLC6A3MMP2
SCHEMBL6502368 0.80 SLC6A3 (0.60) RORCSLC6A4SLC6A2SLC6A3MAOA
SCHEMBL6492041 0.79 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6210261 0.78 DPP4 (0.62) RORCSLC6A4SLC6A2SLC6A3MMP2
SCHEMBL6208716 0.78 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL6209701 0.77 PARP10 (0.52) RORCSLC6A2SLC6A3PARP10MAOA
SCHEMBL11896096 0.77 RORC (0.45) RORCBCHESLC6A2SLC6A3MMP2
SCHEMBL6494035 0.75 PARP10 (0.54) RORCSLC6A2SLC6A3PARP10MAOA
SCHEMBL6210983 0.75 DPP4 (0.57) RORCSLC6A4SLC6A2SLC6A3MMP2

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 RORC 81/4885BCHE 2569/4885SLC6A4 3525/4885

“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.