SCHEMBL2403214

SCHEMBL2403214

CC(C)(C)[Si](C)(C)OCCNC(=O)C(=O)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 0.45
GABRG3 Q99928 2/20 0.45
GABRQ Q9UN88 2/20 0.45
ALOX5 P09917 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
SCHEMBL29748418 0.74 KMT2A (0.43) MEN1KMT2A
SCHEMBL15902132 0.73 GABRA1 (0.39) MAPTMEN1KMT2AGABRA1GABRB2
SCHEMBL8140362 0.73 MPO (0.55) KMT2A
SCHEMBL29206524 0.72 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30052815 0.72 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7733863 0.71 MPO (0.56) KMT2A
SCHEMBL2404389 0.71 GABRP (0.76) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL6030723 0.71 KDM4E (0.55) KMT2AMTNR1AMTNR1BNOTUMSPR
SCHEMBL13333448 0.69 MTNR1A (0.46) MEN1KMT2AMTNR1AMTNR1B
SCHEMBL4599310 0.69 RAB9A (0.50) MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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 (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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 MAPT 1419/4885MEN1 525/4885KMT2A 253/4885

“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.