SCHEMBL6069472

SCHEMBL6069472

COC(=O)C=Cc1ccc2c(c1)C1CCCC1C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.45
TTR P02766 1/20 0.45
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PTPN1 P18031 2/20 0.43
EPHX2 P34913 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
JAK2 O60674 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
FDPS P14324 1/20 0.40
CCNB2 O95067 1/20 0.39

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
SCHEMBL6642813 0.73 NOS3 (0.48) ALDH1A1CA2
SCHEMBL6070089 0.73 HRH3 (0.41) KDM4EALDH1A1PTPN1EPHX2GAA
SCHEMBL6070084 0.73 MT-CO2 (0.40) KDM4EGAAMAPTKMT2A
SCHEMBL6069470 0.73 ALOX15 (0.38) ALDH1A1GAAMAPTHTTKMT2A
SCHEMBL6645803 0.71 NOS3 (0.44) KDM4EALDH1A1EPHX2CA12CA1
SCHEMBL12200910 0.70 CCNB2 (0.52) APPTTRKDM4EALDH1A1PTPN1
SCHEMBL27484774 0.69 CRBN (0.51) APPTTRKDM4EALDH1A1PTPN1
SCHEMBL6331259 0.69 ALDH1A1 (0.61) APPTTRKDM4EALDH1A1PTPN1
SCHEMBL28597729 0.69 EPHX2 (0.59) APPTTRKDM4EALDH1A1PTPN1
SCHEMBL6069995 0.69 NOS3 (0.45) ALDH1A1MAPT

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 APP 2420/4885TTR 4612/4885KDM4E 655/4885

“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.