SCHEMBL4049040

SCHEMBL4049040

CCOC(=O)c1cc2cc(C)c(Cl)cc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.66
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 3/20 0.63
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPC1 O15118 2/20 0.63
LMNA P02545 2/20 0.63
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
GLA P06280 1/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
ATM Q13315 1/20 0.63
HSD17B10 Q99714 1/20 0.61
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57
MMP13 P45452 8/20 0.56
MMP2 P08253 6/20 0.56

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
SCHEMBL832201 0.91 ALOX15 (0.69) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL7681890 0.88 ALDH1A1 (0.70) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL1397976 0.87 ALOX15 (0.64) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL3276358 0.86 ALOX15 (0.63) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL22760538 0.86 ALOX15 (0.63) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL3542541 0.86 ALOX15 (0.63) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL29641398 0.86 ALOX15 (0.63) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL1397981 0.85 ALOX15 (0.61) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL18331899 0.84 ALOX15 (0.64) ALOX15KDM4EALDH1A1HPGDRAB9A
SCHEMBL23049705 0.83 ALOX15 (0.63) ALOX15KDM4EALDH1A1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
EP-1370561-B1 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS HOFFMANN LA ROCHE (CH) 2009-02-11 EP disclosed
US-7253281-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles BENTLEY JONATHAN M 2007-05-10 US disclosed
US-7145009-B2 Pirazino(aza)indole derivatives VERNALIS RESEARCH LIMITED (GB) 2006-12-05 US disclosed
US-20060160816-A1 Pirazino(AZA) indole derivatives VERNALIS RESEARCH LIMITED 2006-07-20 US disclosed
US-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles BENTLEY JONATHAN M 2005-10-27 US disclosed
EP-1325008-B1 PIPERAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2005-10-05 EP disclosed
US-6933387-B2 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles HOFFMANN-LA ROCHE INC. (US) 2005-08-23 US disclosed
US-6844345-B2 Piperazine derivatives HOFFMAN-LA ROCHE INC. (US) 2005-01-18 US disclosed
US-20040092525-A1 Pirazino(aza)indole derivatives VERNALIS RESEARCH LIMITED 2004-05-13 US disclosed
US-20040039200-A1 Pirazino(AZA)indole derivatives VERNALIS RESEARCH LIMITED 2004-02-26 US disclosed
EP-1370561-A2 TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-12-17 EP disclosed
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles F. HOFFMANN-LA ROCHE AG (CH) 2003-11-20 US disclosed
EP-1147110-B1 PYRAZINO(AZA)INDOLE DERIVATIVES VERNALIS RES LTD (GB) 2003-05-07 EP disclosed
US-20020169163-A1 Piperazine derivatives HOFFMAN-LA ROCHE INC. 2002-11-14 US disclosed
WO-2002072584-A2 TETRAHYDRO-PYRAZINO (1,2-A) INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-19 WO disclosed
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles VERNALIS RESEARCH LIMITED, A BRITISH COMPANY (GB) 2002-03-21 US disclosed
EP-1147110-A1 PYRAZINO(AZA)INDOLE DERIVATIVES VERNALIS RESEARCH LIMITED (GB) 2001-10-24 EP disclosed
WO-2000044753-A1 PIRAZINO(AZA)INDOLE DERIVATIVES VERNALIS RESEARCH LIMITED (GB) 2000-08-03 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 (8 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-20040092525-A1 Pirazino(aza)indole derivatives PIR, GPR119, INMT ALOX15 1379/4885KDM4E 1333/4885ALDH1A1 452/4885
US-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles GPR119, INSR, GIPR ALOX15 846/4885KDM4E 739/4885ALDH1A1 368/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 ALOX15 184/4885KDM4E 1176/4885ALDH1A1 254/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR ALOX15 846/4885KDM4E 739/4885ALDH1A1 368/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 ALOX15 1001/4885KDM4E 2045/4885ALDH1A1 1203/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A ALOX15 261/4885KDM4E 657/4885ALDH1A1 225/4885
US-20060160816-A1 Pirazino(AZA) indole derivatives PIR, GPR119, INMT ALOX15 1347/4885KDM4E 1461/4885ALDH1A1 602/4885
US-20040039200-A1 Pirazino(AZA)indole derivatives PIR, GPR119, INMT ALOX15 1379/4885KDM4E 1333/4885ALDH1A1 452/4885

“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.