SCHEMBL3277487

SCHEMBL3277487

FC(F)(F)c1c[c]c(N2CCC(C(F)(F)F)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.37
NOTUM Q6P988 1/20 0.35
CYP3A4 P08684 7/20 0.35
KDM4E B2RXH2 3/20 0.33
ABL1 P00519 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL28527744 0.84 IDH2 (0.40) NOTUMCYP3A4KDM4EABL1LMNA
SCHEMBL330029 0.82 ALDH1A1 (0.43) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL2748410 0.80 ALDH1A1 (0.46) KDM4ELMNAALDH1A1MAPTMEN1
SCHEMBL330110 0.78 LMNA (0.49) KDM4ELMNAALDH1A1MAPT
SCHEMBL2747794 0.78 POLB (0.40) KDM4EALDH1A1
SCHEMBL2754198 0.77 MCHR1 (0.40) NOTUMCYP3A4HRH3
SCHEMBL2747783 0.75 LMNA (0.40) CYP3A4KDM4ELMNAALDH1A1MAPT
SCHEMBL2747882 0.75 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL28538545 0.73 SCD (0.39) KDM4E
SCHEMBL28538489 0.73 GAA (0.45) KDM4EALDH1A1MAPT

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US claimed
CN-100490793-C Remedies for neurodegenerative diseases INST MED MOLECULAR DESIGN INC (JP) 2009-05-27 CN claimed
CN-100464742-C NF-kB activation inhibitor INST MED MOLECULAR DESIGN INC (JP) 2009-03-04 CN claimed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US claimed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US claimed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US claimed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US claimed
CN-1826106-A Therapeutic agent for skin pigmentation INST MED MOLECULAR DESIGN INC (JP) 2006-08-30 CN claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP claimed
CN-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 CN disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
CN-100506221-C Cancer therapeutic agent INST MED MOLECULAR DESIGN INC (JP) 2009-07-01 CN disclosed
CN-100490793-C Remedies for neurodegenerative diseases INST MED MOLECULAR DESIGN INC (JP) 2009-05-27 CN disclosed
CN-100464742-C NF-kB activation inhibitor INST MED MOLECULAR DESIGN INC (JP) 2009-03-04 CN disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 (4 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA SCN10A 1920/4885NOTUM 1709/4885CYP3A4 4140/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA SCN10A 1200/4885NOTUM 1063/4885CYP3A4 2673/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR SCN10A 293/4885NOTUM 1574/4885CYP3A4 2039/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA SCN10A 2349/4885NOTUM 2503/4885CYP3A4 2041/4885

“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.