SCHEMBL3135075

SCHEMBL3135075

Cc1cc(N2CCCNC2=O)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.44
HTR1A P08908 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
ALOX5 P09917 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
THRB P10828 1/20 0.41
HTR6 P50406 2/20 0.40
MCHR1 Q99705 4/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 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
SCHEMBL8915218 0.93 FFAR4 (0.46) FFAR4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL27920857 0.84 ALOX5 (0.39) HTR1ASLC6A2SLC6A4SLC6A3HTR1D
SCHEMBL12275459 0.77 FFAR4 (0.48) FFAR4MRGPRX4MCHR1MEN1KMT2A
SCHEMBL3143366 0.77 FFAR4 (0.44) FFAR4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4715360 0.76 FFAR4 (0.45) FFAR4MRGPRX4MCHR1MAPTMEN1
Hydrochloric Acid SCHEMBL8888785 0.76 HTR1A (0.61) FFAR4HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL3142184 0.75 MAPT (0.44) FFAR4MAPTMEN1KMT2AALDH1A1
SCHEMBL8913036 0.74 MEN1 (0.51) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3133338 0.73 FFAR4 (0.42) FFAR4MRGPRX4MCHR1MEN1KMT2A
SCHEMBL22750386 0.73 ALOX5 (0.67) ALOX5ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO 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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 FFAR4 2593/4885HTR1A 325/4885SLC6A2 3465/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 FFAR4 2072/4885HTR1A 3159/4885SLC6A2 4260/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 FFAR4 1833/4885HTR1A 343/4885SLC6A2 3741/4885

“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.