SCHEMBL6069995

SCHEMBL6069995

O=C1Nc2ccc(Br)cc2C2CCCC12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.45
NOS1 P29475 1/20 0.45
NOS2 P35228 1/20 0.45
TP53 P04637 6/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
NQO2 P16083 1/20 0.43
LMNA P02545 3/20 0.40
TGM2 P21980 1/20 0.38
CES1 P23141 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CMA1 P23946 1/20 0.37
AHR P35869 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6640591 0.81 NOS3 (0.44) NOS3NOS1NOS2TP53MAPT
SCHEMBL6137367 0.81 SIRT2 (0.50) NOS3NOS1NOS2TP53MAPT
SCHEMBL6645803 0.81 NOS3 (0.44) NOS3NOS1NOS2TP53MAPT
SCHEMBL6639911 0.81 NOS3 (0.45) NOS3NOS1NOS2TP53MAPT
SCHEMBL6641768 0.77 GSK3B (0.48) NOS3NOS1NOS2MAPTLRRK2
SCHEMBL6642813 0.77 NOS3 (0.48) NOS3NOS1NOS2TP53LRRK2
SCHEMBL6644248 0.77 KMT2A (0.50) NOS3NOS1NOS2MAPTALDH1A1
SCHEMBL4763337 0.76 IDO1 (0.45) NOS3NOS1NOS2MAPTLMNA
SCHEMBL6137734 0.76 IDO1 (0.45) NOS3NOS1NOS2MAPTLMNA
SCHEMBL4761869 0.76 IDO1 (0.45) NOS3NOS1NOS2MAPTLMNA

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 14 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
EP-1129077-B9 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AG (DE) 2005-07-20 EP disclosed
EP-1129077-B1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AG (DE) 2005-04-20 EP disclosed
EP-1054869-B1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AG (DE) 2004-09-22 EP 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
US-6579883-B1 Nitrogen monoxide synthases; 4-amino-8-bromo-3a-fluoro-2,3,3a,9b-tetrahydro-1H-cyclopenta (c) quinoline; neurodegenerative, autoimmune, cardiovascular diseases SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-17 US disclosed
US-6391887-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-21 US disclosed
EP-1129077-A1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-05 EP disclosed
EP-1115708-A1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS Schering Aktiengesellschaft (DE) 2001-07-18 EP disclosed
EP-1054869-A1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2000-11-29 EP disclosed
WO-2000029381-A1 FLUORINATED 3,4-DIHYDROQUINOLINE DERIVATIVES USED AS NOS INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-25 WO disclosed
WO-2000017167-A1 AMINOALKYL-3,4-DIHYDROQUINOLINE DERIVATES AS NO-SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-30 WO disclosed
WO-1999041240-A1 3,4-DIHYDROQUINOLINE DERIVATIVES AS NITROGEN MONOXIDE SYNTHASE (NOS) INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1999-08-19 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 NOS3 1/4885NOS1 2/4885NOS2 3/4885

“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.