SCHEMBL4877040

SCHEMBL4877040

COC(=O)C12CCC(CC1)CN2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33
SLC6A9 P48067 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CTSK P43235 2/20 0.31
CTSC P53634 2/20 0.31
LMNA P02545 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
SCHEMBL14535742 0.80 CHRNB2 (0.33) NPSR1CHRNB2CHRNA4ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL31673967 0.78 CHRNB2 (0.32) NPSR1CHRNB2CHRNA4ALDH1A1L3MBTL1
SCHEMBL901728 0.75 SLC6A9 (0.32) SLC6A9
SCHEMBL9738407 0.74 CTSC (0.31) CTSKCTSC
SCHEMBL2125429 0.72 NPSR1 (0.35) NPSR1MAPTLMNA
SCHEMBL2125432 0.72 NPSR1 (0.35) NPSR1MAPTLMNA
Hydrochloric Acid SCHEMBL2123711 0.71 NPSR1 (0.34) NPSR1MAPTLMNA
Hydrochloric Acid SCHEMBL2124565 0.71 NPSR1 (0.34) NPSR1MAPTLMNA
SCHEMBL7839416 0.70 CTSC (0.31) CTSC
SCHEMBL5188438 0.69 NPSR1 (0.39) NPSR1MAPTALDH1A1L3MBTL1LMNA

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 2107/4885SLC6A9 4821/4885

“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.