SCHEMBL6984098

SCHEMBL6984098

CCN(CC)c1ccc(F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
MAPT P10636 4/20 0.66
MAPK1 P28482 2/20 0.66
KDM4E B2RXH2 2/20 0.66
GAA P10253 2/20 0.66
THRB P10828 1/20 0.66
HTT P42858 1/20 0.66
TDP1 Q9NUW8 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
CYP3A4 P08684 2/20 0.58
PSMD14 O00487 1/20 0.58
TSHR P16473 1/20 0.58
RECQL P46063 1/20 0.58
GFER P55789 1/20 0.58
LMNA P02545 2/20 0.58
ALDH3A1 P30838 1/20 0.54
ALDH1A3 P47895 1/20 0.54
CNR2 P34972 6/20 0.50
CNR1 P21554 4/20 0.50
TERT O14746 1/20 0.50

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
SCHEMBL13181137 0.93 ALDH1A1 (0.59) ALDH1A1MAPTMAPK1KDM4EGAA
SCHEMBL12069745 0.87 MAPT (0.54) ALDH1A1MAPTMAPK1KDM4EGAA
SCHEMBL19648765 0.87 MAPT (0.69) ALDH1A1MAPTMAPK1KDM4EGAA
SCHEMBL1735497 0.86 ALDH1A1 (0.74) ALDH1A1MAPTMAPK1KDM4EGAA
SCHEMBL6443035 0.84 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1KDM4EGAA
Hydrochloric Acid SCHEMBL8046149 0.83 ALDH1A1 (0.70) ALDH1A1MAPTMAPK1KDM4EGAA
Hydrochloric Acid SCHEMBL8046146 0.83 ALDH1A1 (0.70) ALDH1A1MAPTMAPK1KDM4EGAA
SCHEMBL13181094 0.83 ALDH1A1 (0.50) ALDH1A1MAPTMAPK1KDM4EGAA
SCHEMBL15741279 0.83 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1KDM4EGAA
SCHEMBL1972710 0.80 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1KDM4EGAA

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
CN-1440390-A Substituted diamine derivatives as motilin antagonists ORTHO MCNEIL PHARM INC (US) 2003-09-03 CN claimed
EP-3728238-A1 SULPHONYL UREA DERIVATIVES AS NLRP3 INFLAMMASOME MODULATORS Nodthera Limited (GB) 2020-10-28 EP disclosed
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP disclosed
EP-2631980-B1 NON-AQUEOUS ELECTROLYTE SOLUTION DAIKIN IND LTD (JP) 2017-10-11 EP disclosed
EP-2664619-B1 Purine derivatives as tools for screening anti-Alzheimer compounds MANROS THERAPEUTICS (FR) 2017-07-12 EP disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-1467974-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS GNRH ANTAGONISTS SOD CONSEILS RECH APPLIC (FR) 2007-08-15 EP disclosed
CN-1440390-A Substituted diamine derivatives as motilin antagonists ORTHO MCNEIL PHARM INC (US) 2003-09-03 CN disclosed
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 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 (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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 ALDH1A1 617/4885MAPT 2813/4885MAPK1 457/4885

“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.