SCHEMBL2299216

SCHEMBL2299216

FC(F)(F)c1cccc(OCC2CNC2)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
ATM Q13315 1/20 0.59
GRM2 Q14416 1/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAOB P27338 1/20 0.45
AOC3 Q16853 1/20 0.45
FFAR1 O14842 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 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
SCHEMBL13107008 0.86 KMT2A (0.52) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL2665473 0.86 KMT2A (0.56) KMT2AATMGRM2SLC6A2SLC6A4
SCHEMBL12062263 0.85 SOD1 (0.48) KMT2AATMGRM2SLC6A2SLC6A4
SCHEMBL14312000 0.82 SLC6A4 (0.46) KMT2AATMSLC6A2SLC6A4SLC6A3
SCHEMBL21430664 0.82 KMT2A (0.52) KMT2AATMGRM2FFAR1HRH3
SCHEMBL2299739 0.82 KMT2A (0.52) KMT2AATMGRM2SLC6A2SLC6A4
SCHEMBL21618381 0.81 LTA4H (0.50) GRM2SLC6A2SLC6A4SLC6A3MAOB
SCHEMBL29042315 0.81 KMT2A (0.51) KMT2AATMGRM2SLC6A2SLC6A4
SCHEMBL30539178 0.81 KMT2A (0.51) KMT2AATMGRM2SLC6A2SLC6A4
SCHEMBL2300124 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
US-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators PFIZER INC. (US) 2012-03-01 US disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
WO-2010100606-A1 NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2010-09-10 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 (2 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-20120053165-A1 Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators BACE1, BACE2, PSEN1 KMT2A 3246/4885ATM 1087/4885GRM2 618/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I KMT2A 1099/4885ATM 4743/4885GRM2 726/4885

“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.