SCHEMBL3099648

SCHEMBL3099648

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
KDM1A O60341 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 1/20 0.38
PPARD Q03181 1/20 0.37
ACHE P22303 1/20 0.37
FAAH O00519 2/20 0.37
BRD4 O60885 1/20 0.37
PLAT P00750 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL3097379 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL3099656 0.95 HTR2C (0.48) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL3098625 0.91 GABRA1 (0.47) HTR2AHTR2CHTR2BKDM1ANPC1
SCHEMBL3100813 0.91 HTR2A (0.45) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL3092687 0.89 FAAH (0.45) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL3100353 0.89 MAPK14 (0.44) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL3100113 0.87 EP300 (0.45) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL3096828 0.87 HTR2A (0.43) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL3098590 0.86 PPARD (0.44) HTR2AHTR2CHTR2BKMT2AMEN1
SCHEMBL3088777 0.85 FAAH (0.47) HTR2AHTR2CHTR2BKDM1AGABRA1

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.