SCHEMBL6069563

SCHEMBL6069563

O=C1Nc2cc(CO)ccc2C2CCCC12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
IDO1 P14902 1/20 0.38
PARP1 P09874 5/20 0.36
TNKS O95271 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
HPGD P15428 1/20 0.34
CHEK1 O14757 1/20 0.34
MAP2K1 Q02750 1/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
ALOX5 P09917 1/20 0.33
HSD11B1 P28845 2/20 0.32
KDM2B Q8NHM5 1/20 0.31
STS P08842 1/20 0.31
IP6K1 Q92551 1/20 0.31
TP53 P04637 1/20 0.31
MDM2 Q00987 1/20 0.31
ENPP2 Q13822 1/20 0.30

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
SCHEMBL6069811 0.89 PARP1 (0.35) DDB1CRBNPARP1TNKSTNKS2
SCHEMBL6137586 0.86 PARP1 (0.34) PARP1TNKSTNKS2CHEK1MAP2K1
SCHEMBL6137668 0.82 FFAR4 (0.39)
SCHEMBL6070036 0.79 FKBP1A (0.35) PARP1TNKSTNKS2HPGDCHEK1
SCHEMBL6069805 0.79 HRH3 (0.40) HPGDALOX5
SCHEMBL6642433 0.77 NOS3 (0.44) DDB1CRBNIDO1PARP1
SCHEMBL6645276 0.77 NOS3 (0.44) DDB1CRBNIDO1
SCHEMBL6069744 0.77 HSD17B10 (0.46) DDB1CRBNHPGDALOX5ENPP2
SCHEMBL6069245 0.76 NOS3 (0.55) PARP1
SCHEMBL6069742 0.76 CYP2A6 (0.33) PARP1IP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7067667-B2 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-27 US disclosed
US-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors JAROCH STEFAN (DE) 2004-07-01 US disclosed
EP-1115708-B1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS SCHERING AG (DE) 2004-04-14 EP disclosed
EP-1115708-A1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS Schering Aktiengesellschaft (DE) 2001-07-18 EP disclosed
WO-2000017167-A1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-30 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-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors NOS3, NOS1, NOS2 DDB1 2282/4885CRBN 3509/4885IDO1 817/4885

“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.