SCHEMBL9223129

SCHEMBL9223129

NN1CCCN(c2ccccc2C(F)(F)F)C1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
P2RX7 Q99572 1/20 0.39
HCAR1 Q9BXC0 2/20 0.39
AKR1C3 P42330 1/20 0.38
HSD11B1 P28845 2/20 0.38
HTR1A P08908 1/20 0.38
L3MBTL1 Q9Y468 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
POLB P06746 1/20 0.37
TTR P02766 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL11114358 0.77 TDP1 (0.45) KMT2AMEN1MAPTL3MBTL1TDP1
SCHEMBL30483507 0.75 MEN1 (0.41) KMT2AMEN1KDM4EMAPTP2RX7
SCHEMBL16915007 0.75 SCN9A (0.46) KMT2AMEN1KDM4EMAPTP2RX7
SCHEMBL27782006 0.75 SCN9A (0.46) KMT2AP2RX7L3MBTL1TDP1HTR2A
SCHEMBL27955975 0.72 MEN1 (0.43) KMT2AMEN1P2RX7HSD11B1HTR1A
SCHEMBL19962678 0.72 MEN1 (0.45) KMT2AMEN1KDM4EMAPTP2RX7
SCHEMBL909200 0.72 MEN1 (0.61) KMT2AMEN1KDM4EL3MBTL1
SCHEMBL23211918 0.71 AKR1C3 (0.54) KMT2AMEN1MAPTAKR1C3HSD11B1
SCHEMBL30407607 0.71 AKR1C3 (0.54) KMT2AMEN1MAPTAKR1C3HSD11B1
SCHEMBL13735640 0.70 SCN9A (0.46) KMT2AMEN1KDM4EMAPTP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
US-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 US disclosed
EP-2454239-B1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS JANSSEN PHARMACEUTICALS INC (US) 2014-08-13 EP disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 US disclosed
WO-2011006903-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-01-20 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A KMT2A 2877/4885MEN1 2093/4885KDM4E 2831/4885

“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.