SCHEMBL8918097

SCHEMBL8918097

CN1CCC(C(=O)c2ccccc2NS(C)(=O)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 5/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 6/20 0.47
HPGD P15428 5/20 0.47
HSD17B10 Q99714 4/20 0.47
TSHR P16473 2/20 0.47
RCE1 Q9Y256 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43

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
SCHEMBL9501938 0.85 KMT2A (0.54) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16285312 0.75 ALDH1A1 (0.54) HTR1FKMT2AALDH1A1HPGDHTT
SCHEMBL27544614 0.75 MGLL (0.51) HTR1FALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11190518 0.75 KMT2A (0.54) HTR1FKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL9444456 0.74 KCNH2 (0.60) HTR1FKMT2AALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL9444478 0.74 KCNH2 (0.60) HTR1FKMT2AALDH1A1KDM4EHPGD
SCHEMBL4148296 0.74 HSD11B1 (0.52) HTR1FALDH1A1KDM4EHSD17B10
SCHEMBL16501426 0.74 MGLL (0.52) HTR1FTSHRSMN1; SMN2
SCHEMBL6661943 0.74 HSD11B1 (0.55) HTR1FKMT2AALDH1A1
SCHEMBL5212799 0.74 HTR1F (0.61) HTR1FKMT2AALDH1A1KDM4EHPGD

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 10 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-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-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-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
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US 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 HTR1F 549/4885KMT2A 984/4885ALDH1A1 565/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 HTR1F 3002/4885KMT2A 1623/4885ALDH1A1 265/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 HTR1F 445/4885KMT2A 2349/4885ALDH1A1 475/4885

“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.