SCHEMBL3269912

SCHEMBL3269912

CCCCNCc1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.48
CYSLTR1 Q9Y271 4/20 0.48
CYSLTR2 Q9NS75 3/20 0.48
TLR7 Q9NYK1 1/20 0.47
TLR8 Q9NR97 1/20 0.47
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP1A2 P05177 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FLT3 P36888 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
GAS6 Q14393 1/20 0.41

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
SCHEMBL30022211 1.00 GPBAR1 (0.48) GPBAR1CYSLTR1CYSLTR2TLR7TLR8
SCHEMBL28608296 0.94 GPBAR1 (0.49) GPBAR1CYSLTR1CYSLTR2TLR7TLR8
SCHEMBL13614140 0.90 MAOA (0.46) GPBAR1CYSLTR1CYSLTR2TLR7HDAC1
SCHEMBL10614795 0.88 HDAC1 (0.48) CYSLTR1CYSLTR2HDAC1HDAC2KDM1A
SCHEMBL30388584 0.86 KDM1A (0.50) CYSLTR1CYSLTR2HDAC1HDAC2KDM1A
SCHEMBL10616742 0.84 KDM1A (0.49) CYSLTR1CYSLTR2HDAC1HDAC2KDM1A
SCHEMBL1038626 0.84 HDAC1 (0.48) GPBAR1CYSLTR1CYSLTR2HDAC1HDAC2
SCHEMBL4725706 0.83 MC4R (0.51) CYSLTR1CYSLTR2HDAC1HDAC2KDM1A
SCHEMBL1039381 0.83 KDM1A (0.48) GPBAR1CYSLTR1CYSLTR2HDAC1HDAC2
SCHEMBL24943587 0.82 HDAC1 (0.55) CYSLTR1CYSLTR2HDAC1HDAC2KDM1A

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
CN-113307820-B Quinoline ring-substituted aminophenoxy zinc complex and preparation method and application thereof 华东理工大学 2022-10-25 CN disclosed
CN-113307820-A Quinoline ring-substituted aminophenoxy zinc complex and preparation method and application thereof 华东理工大学 2021-08-27 CN disclosed
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS, S.A. (ES) 2012-01-05 US 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-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE PNMT, ABCB1, SNCA GPBAR1 317/4885CYSLTR1 2467/4885CYSLTR2 2306/4885

“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.