SCHEMBL2592138

SCHEMBL2592138

CCCC(=O)c1[c]nccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B3 P37058 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TP53 P04637 1/20 0.35
ELANE P08246 2/20 0.35
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FAAH O00519 3/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33

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
SCHEMBL1693355 0.77 ALDH1A1 (0.36) HPGDL3MBTL1TSHRALDH1A1HSD17B10
SCHEMBL12984487 0.75 ALDH1A1 (0.50) SMN1; SMN2L3MBTL1TP53ELANETSHR
SCHEMBL3639242 0.74 ADRA1D (0.35) HPGDSMN1; SMN2TP53ALDH1A1HSD17B10
SCHEMBL17515099 0.72 HTT (0.53) HPGDSMN1; SMN2L3MBTL1TSHR
SCHEMBL7747149 0.70 FFAR1 (0.34) TSHRALDH1A1RECQLTRPM8
SCHEMBL11732038 0.70 P2RX7 (0.46) L3MBTL1ALDH1A1LMNA
SCHEMBL1032794 0.70 ALDH1A1 (0.46) L3MBTL1TSHRALDH1A1ALOX15HSD17B10
SCHEMBL2332592 0.70 HPGD (0.46) HPGDSMN1; SMN2L3MBTL1HSD17B3CES2
SCHEMBL22684213 0.68 KMT2A (0.34) SMN1; SMN2L3MBTL1TP53ALDH1A1LMNA
SCHEMBL968858 0.68 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514402-B1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEM IND INC (JP) 2016-08-31 EP disclosed
US-9414998-B2 Preventing or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2016-08-16 US disclosed
US-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2014-10-30 US disclosed
EP-2566855-B1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-05-21 EP disclosed
US-8673894-B2 2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-03-18 US disclosed
US-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-02-13 US disclosed
EP-2566855-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-03-13 EP disclosed
EP-2514402-A1 PROPHYLACTIC OR AMELIORATING AGENT FO PIGMENTATION Pola Chemical Industries Inc. (JP) 2012-10-24 EP disclosed
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-10-11 US disclosed
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A. (IT) 2011-12-22 US disclosed
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 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 (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-20140045820-A1 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds BACE2, BACE1, PSEN2 HPGD 2609/4885SMN1; SMN2 424/4885L3MBTL1 3402/4885
US-20110312937-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 HPGD 2609/4885SMN1; SMN2 424/4885L3MBTL1 3402/4885
US-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF HPGD 636/4885SMN1; SMN2 937/4885L3MBTL1 1212/4885
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF HPGD 636/4885SMN1; SMN2 937/4885L3MBTL1 1212/4885

“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.