SCHEMBL3595427

SCHEMBL3595427

CN1CCOc2c(N)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.51
ADRA2C P18825 1/20 0.41
NOTUM Q6P988 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
GRM5 P41594 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KEAP1 Q14145 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
FGB P02675 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL22717412 0.82 NOTUM (0.39) HTR6NOTUMGRM5CYP11B1CYP11B2
SCHEMBL8593458 0.80 L3MBTL1 (0.46) NOTUMCYP17A1CYP1A2FGBL3MBTL1
SCHEMBL23384700 0.79 NOTUM (0.39) HTR6NOTUMGRM5CYP11B1CYP11B2
SCHEMBL27259961 0.79 NOTUM (0.60) HTR6ADRA2CNOTUMMEN1GAA
SCHEMBL27358451 0.79 NPC1 (0.45) HTR6NOTUMGRM5CYP11B1CYP11B2
SCHEMBL1082973 0.77 NOTUM (0.41) NOTUMGRM5CYP11B1CYP11B2ADRB1
SCHEMBL22313615 0.77 NOTUM (0.38) NOTUMGRM5CYP11B1CYP11B2GAA
SCHEMBL13545368 0.76 TP53 (0.38) NOTUMGRM5CYP11B1CYP11B2
SCHEMBL69284 0.76 NOTUM (0.37) NOTUMGRM5CYP11B1CYP11B2ADRB1
SCHEMBL24184925 0.76 NOTUM (0.37) HTR6NOTUMGRM5CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 HTR6 1987/4885ADRA2C 909/4885NOTUM 2103/4885

“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.