SCHEMBL3100113

SCHEMBL3100113

COc1ccc(-c2oc(C3CCNCC3)nc2-c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 4/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
MAPK14 Q16539 1/20 0.37
PLAT P00750 3/20 0.36
FAAH O00519 2/20 0.36
PPARD Q03181 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CASR P41180 1/20 0.35
KDM1A O60341 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL3099656 0.92 HTR2C (0.48) EP300HTR2AHTR2CHTR2BMEN1
SCHEMBL3098590 0.90 PPARD (0.44) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3097379 0.87 HTR2A (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3100813 0.87 HTR2A (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3099648 0.87 HTR2A (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL13158367 0.87 HTR2A (0.42) EP300HTR2AHTR2CHTR2BPPARD
SCHEMBL3092687 0.86 FAAH (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3100353 0.86 MAPK14 (0.44) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3096828 0.84 HTR2A (0.43) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL13157852 0.78 LMNA (0.42) MEN1KMT2AFAAHPPARDCASR

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
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 EP300 2758/4885HTR2A 937/4885HTR2C 1142/4885

“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.