SCHEMBL4876100

SCHEMBL4876100

COC(=O)C12CCC(CC1)CN2N

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4179515 0.81 SLC6A9 (0.36) NPSR1MAPT
SCHEMBL9853458 0.69 LMNA (0.38) NPSR1MAPTTSHR
SCHEMBL20221547 0.69 NPSR1 (0.34) NPSR1MAPT
SCHEMBL5188438 0.67 NPSR1 (0.39) NPSR1MAPTTSHRALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL29184967 0.66 NPSR1 (0.38) NPSR1MAPTTSHRALDH1A1L3MBTL1
SCHEMBL2123016 0.66 NPSR1 (0.32) NPSR1MAPT
SCHEMBL2125006 0.66 NPSR1 (0.32) NPSR1MAPT
SCHEMBL25555185 0.65 TSHR (0.33) TSHR
SCHEMBL3709921 0.64 CYP1A2 (0.36) NPSR1MAPT
SCHEMBL7458948 0.64 NPSR1 (0.34) NPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214529-A1 SATURATED FUSED [1,2-b]PYRIDAZINONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2008-09-04 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-20080214529-A1 SATURATED FUSED [1,2-b]PYRIDAZINONE COMPOUNDS HAVCR2, ZC3HAV1, NR1H4 NPSR1 2850/4885MAPT 2107/4885TSHR 4208/4885

“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.