SCHEMBL13158367

SCHEMBL13158367

COc1ccc(-c2oc(C3CCCNC3)nc2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
EP300 Q09472 3/20 0.38
TLR9 Q9NR96 4/20 0.36
TLR8 Q9NR97 4/20 0.36
TLR7 Q9NYK1 4/20 0.36
IKBKB O14920 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
ACP1 P24666 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
HTR6 P50406 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
PPARD Q03181 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
SCHEMBL3102783 0.93 HTR2A (0.47) HTR2AHTR2CHTR2BTLR9TLR8
SCHEMBL3100113 0.87 EP300 (0.45) HTR2AHTR2CHTR2BEP300PPARD
SCHEMBL3099656 0.79 HTR2C (0.48) HTR2AHTR2CHTR2BEP300
SCHEMBL3098590 0.78 PPARD (0.44) HTR2AHTR2CHTR2BPPARD
SCHEMBL3099648 0.75 HTR2A (0.45) HTR2AHTR2CHTR2BPPARD
SCHEMBL3100813 0.75 HTR2A (0.45) HTR2AHTR2CHTR2BADORA3ADORA1
SCHEMBL3097379 0.75 HTR2A (0.45) HTR2AHTR2CHTR2BPPARD
SCHEMBL3092687 0.74 FAAH (0.45) HTR2AHTR2CHTR2BJAK2JAK1
SCHEMBL3100353 0.74 MAPK14 (0.44) HTR2AHTR2CHTR2B
SCHEMBL13157852 0.73 LMNA (0.42) PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 HTR2A 937/4885HTR2C 1142/4885HTR2B 1054/4885

“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.