SCHEMBL3022635

SCHEMBL3022635

COc1cnc2ncc(=O)n(-c3cnc4c(c3)CCC(NC(=O)O)C4)c2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ACHE P22303 2/20 0.34
KCNH2 Q12809 3/20 0.33
PDE4B Q07343 1/20 0.33
RIPK2 O43353 1/20 0.32
USP14 P54578 3/20 0.32
THRB P10828 1/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGDS O60760 1/20 0.30
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
SCHEMBL3013743 0.83 DRD2 (0.37) KCNH2
Hydrochloric Acid SCHEMBL3008614 0.82 DRD2 (0.36) KCNH2
SCHEMBL3018389 0.78 KCNH2 (0.49) KCNH2
SCHEMBL3030115 0.78 KCNH2 (0.38) KCNH2PDE4BCYP1A2ALDH1A1
SCHEMBL3024573 0.76 KCNH2 (0.40) KCNH2
SCHEMBL3663681 0.76 PDE2A (0.37) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3008126 0.76 MTNR1A (0.34) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL3016312 0.74 KCNH2 (0.54) KCNH2
SCHEMBL3663718 0.73 MTNR1A (0.34) MTNR1AMTNR1BCA1CA2ACHE
SCHEMBL19691753 0.72 PRKDC (0.42) KCNH2RIPK2CYP1A2CYP2C9ALDH1A1

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-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH MTNR1A 4161/4885MTNR1B 3836/4885CA1 4217/4885

“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.