SCHEMBL4440050

SCHEMBL4440050

O=C(OCc1ccccc1)N(Cc1ccccc1)C1CCNCC1F

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.67
CTSD P07339 1/20 0.44
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 5/20 0.42
SLC6A3 Q01959 5/20 0.42
CYP2D6 P10635 4/20 0.42
CHRM3 P20309 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR2C P28335 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
Hydrochloric Acid SCHEMBL3358867 0.99 HTR2A (0.66) HTR2ACTSDSLC6A2SLC6A4SLC6A3
SCHEMBL15407540 0.88 CTSD (0.52) HTR2ACTSDSLC6A2SLC6A4SLC6A3
SCHEMBL1976152 0.88 CTSD (0.52) HTR2ACTSDSLC6A2SLC6A4SLC6A3
SCHEMBL1976155 0.88 CTSD (0.52) HTR2ACTSDSLC6A2SLC6A4SLC6A3
SCHEMBL1976153 0.88 CTSD (0.52) HTR2ACTSDSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3357777 0.86 CTSD (0.51) HTR2ACTSDSLC6A2SLC6A4SLC6A3
SCHEMBL30828745 0.85 SIGMAR1 (0.54) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL30828771 0.85 SIGMAR1 (0.54) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL30828750 0.85 SIGMAR1 (0.54) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL30828775 0.85 SIGMAR1 (0.54) HTR2ASLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB 2012-10-25 US disclosed
EP-2121702-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
WO-2008071961-A1 2-QUINOLINONE AND 2-QUINOXALINONE- DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2008-06-19 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-20120270864-A1 2-QUINOLINONE AND 2-QUINOXALINONE-DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS NQO2, SDHA, NDUFS5 HTR2A 1487/4885CTSD 1716/4885SLC6A2 1992/4885

“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.