SCHEMBL3100353

SCHEMBL3100353

COc1ccc(-c2nc(C3CCNCC3)oc2-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK11 Q15759 3/20 0.41
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
RAF1 P04049 1/20 0.41
MAPK9 P45984 1/20 0.41
ALOX5 P09917 1/20 0.40
GCGR P47871 1/20 0.40
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
HSPB1 P04792 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39

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 0.94 HTR2C (0.48) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3100813 0.89 HTR2A (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3097379 0.89 HTR2A (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3099648 0.89 HTR2A (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3092687 0.88 FAAH (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3098590 0.88 PPARD (0.44) MAPK14HTR2AHTR2CHTR2BMEN1
SCHEMBL3096828 0.86 HTR2A (0.43) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3100113 0.86 EP300 (0.45) MAPK14HTR2AHTR2CHTR2BMEN1
SCHEMBL3089251 0.85 NR4A2 (0.45) MAPK14HTR2AHTR2CHTR2BMAPK11
SCHEMBL3102783 0.80 HTR2A (0.47) MAPK14HTR2AHTR2CHTR2BMEN1

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 5 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
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
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 MAPK14 985/4885HTR2A 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.