SCHEMBL6070089

SCHEMBL6070089

COC(=O)CCc1ccc2c(c1)C1CCCC1C(=O)N2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX2 P34913 1/20 0.38
PTPN1 P18031 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
IDH1 O75874 5/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX5 P09917 1/20 0.35
OR51E2 Q9H255 1/20 0.35

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
SCHEMBL6069805 0.92 HRH3 (0.40) HRH3MEN1KMT2AEPHX2PTPN1
SCHEMBL6069583 0.86 FFAR1 (0.39) HRH3IDH1
SCHEMBL7722548 0.79 HRH3 (0.39) HRH3MEN1KMT2AEPHX2PTPN1
SCHEMBL6137668 0.77 FFAR4 (0.39) HRH3
SCHEMBL6642813 0.74 NOS3 (0.48) ALDH1A1
SCHEMBL6070084 0.74 MT-CO2 (0.40) MEN1KMT2AKDM4EMAPTGAA
SCHEMBL6069470 0.74 ALOX15 (0.38) MEN1KMT2ASIRT2ALDH1A1HPGD
SCHEMBL6069472 0.73 APP (0.45) KMT2AEPHX2PTPN1ALDH1A1KDM4E
SCHEMBL6070036 0.73 FKBP1A (0.35) MEN1KMT2AALDH1A1HPGDHSD17B10
SCHEMBL6641184 0.72 NOS1 (0.56) SIRT2

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 HRH3 2376/4885MEN1 4795/4885KMT2A 1040/4885

“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.