SCHEMBL4522211

SCHEMBL4522211

Clc1ccc2c(c1)CC1(CCCCC1)N=C2c1cnc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PDGFRB P09619 4/20 0.36
PDGFRA P16234 4/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALPL P05186 1/20 0.35
SERPINE1 P05121 1/20 0.35
CYP2A6 P11509 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
BIRC5 O15392 1/20 0.34

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
SCHEMBL4513546 0.91 TDP2 (0.39) TDP2AKR1C3AKR1C2CNR1CNR2
SCHEMBL4530842 0.88 AKR1C3 (0.42) TDP2AKR1C3AKR1C2CNR1CNR2
SCHEMBL4521786 0.88 TDP2 (0.40) TDP2AKR1C3AKR1C2PDGFRBPDGFRA
SCHEMBL4526682 0.88 TDP2 (0.40) TDP2AKR1C3AKR1C2PDGFRBPDGFRA
SCHEMBL4525297 0.87 ALDH1A1 (0.39) TDP2AKR1C3AKR1C2PDGFRBPDGFRA
SCHEMBL4512390 0.87 BIRC5 (0.44) TDP2AKR1C3AKR1C2PDGFRBPDGFRA
SCHEMBL4519038 0.87 AKR1C3 (0.43) TDP2AKR1C3AKR1C2CNR1CNR2
SCHEMBL4523901 0.86 PDGFRB (0.40) TDP2AKR1C3AKR1C2PDGFRBPDGFRA
SCHEMBL4526546 0.84 TDP2 (0.37) TDP2AKR1C3AKR1C2PDGFRBPDGFRA
SCHEMBL4530771 0.83 TDP2 (0.41) TDP2AKR1C3AKR1C2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1736471-B1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES MITSUI CHEMICALS AGRO INC (JP) 2014-01-08 EP disclosed
US-7632783-B2 fungicides, pesticides for protecting rice crop, tomatoes, cucumbers and green beans; 3-(5-fluoro-3,3-dimethyl-3,4-dihydroisoquinolin-1-yl)quinoline MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-15 US disclosed
US-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2008-11-06 US disclosed
EP-1736471-A1 3-(DIHYDRO(TETRAHYDRO)ISOQUINOLIN-1-YL)QUINOLINES Sankyo Agro Company, Limited (JP) 2006-12-27 EP 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-20080275242-A1 3-(Dihydro(Tetrahydro)Isoquinolin-1-Yl)Quinoline Compound QTRT1, RABL3, RECQL TDP2 1584/4885AKR1C3 1232/4885AKR1C2 1859/4885

“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.