SCHEMBL3096828

SCHEMBL3096828

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
MAT2A P31153 1/20 0.36
PLAT P00750 2/20 0.36
FAAH O00519 2/20 0.36
NOTUM Q6P988 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
KDM1A O60341 1/20 0.35
POLB P06746 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) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3097379 0.87 HTR2A (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3100813 0.87 HTR2A (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3099648 0.87 HTR2A (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3092687 0.86 FAAH (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3100353 0.86 MAPK14 (0.44) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3100113 0.84 EP300 (0.45) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3098590 0.83 PPARD (0.44) HTR2AHTR2CHTR2BMEN1KMT2A
SCHEMBL3099977 0.79 LMNA (0.43) HTR2BMEN1KMT2AFAAHMMP1
SCHEMBL13157863 0.79 LMNA (0.43) HTR2BMEN1KMT2AFAAHMMP1

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-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

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.