SCHEMBL6070036

SCHEMBL6070036

CC(=O)OCCc1ccc2c(c1)NC(=O)C1CCCC21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.35
YWHAG P61981 1/20 0.33
APP P05067 1/20 0.33
ALOX5 P09917 1/20 0.32
PARP1 P09874 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CHEK1 O14757 1/20 0.31
MAP2K1 Q02750 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL6137586 0.79 PARP1 (0.34) PARP1TNKSTNKS2CHEK1MAP2K1
SCHEMBL6137343 0.79 TNKS (0.33) PARP1TNKSTNKS2
SCHEMBL6137379 0.75 DUT (0.35) PARP1TNKSTNKS2
SCHEMBL6070089 0.73 HRH3 (0.41) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL6070032 0.73 NAAA (0.35) NAAATSHR
SCHEMBL6642433 0.71 NOS3 (0.44) PARP1TSHR
SCHEMBL6069583 0.71 FFAR1 (0.39)
SCHEMBL6069744 0.71 HSD17B10 (0.46) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL6643305 0.71 NOS3 (0.48) MEN1KMT2AALDH1A1MAPTPDE3B
SCHEMBL6069808 0.69 NOX1 (0.37) PARP1MEN1KMT2AKDM4EMAPT

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 FKBP1A 3500/4885YWHAG 2663/4885APP 2420/4885

“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.