SCHEMBL4044128

SCHEMBL4044128

CCOC(=O)c1cc2c(F)ccc(F)c2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
HRH4 Q9H3N8 2/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
ATM Q13315 1/20 0.48
IDO1 P14902 2/20 0.47
TDO2 P48775 2/20 0.47

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
SCHEMBL3276933 0.93 ALOX15 (0.47) ALOX15HRH4HPGDKDM4EALDH1A1
SCHEMBL21724772 0.91 HRH4 (0.53) ALOX15HRH4HPGDKDM4EALDH1A1
SCHEMBL30055809 0.91 HRH4 (0.53) ALOX15HRH4HPGDKDM4EALDH1A1
SCHEMBL5357191 0.90 CDK1 (0.52) ALOX15HRH4HPGDKDM4EALDH1A1
SCHEMBL28455876 0.90 ALOX15 (0.45) ALOX15HRH4HPGDKDM4EALDH1A1
SCHEMBL28844731 0.90 ALOX15 (0.45) ALOX15HRH4HPGDKDM4EALDH1A1
SCHEMBL1144707 0.89 KDM4E (0.52) ALOX15HRH4HPGDKDM4EALDH1A1
SCHEMBL24113196 0.88 ALOX15 (0.46) ALOX15HRH4HPGDKDM4EALDH1A1
SCHEMBL22621694 0.85 ALOX15 (0.45) ALOX15HPGDKDM4EALDH1A1RAB9A
SCHEMBL1653459 0.84 FBP1 (0.48) ALOX15HPGDKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534793-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. (GB) 2009-05-19 US 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
EP-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP disclosed
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM P.L.C. 2006-01-19 US disclosed
US-6962917-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-11-08 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
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
CN-1452619-A Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity SMITHKLINE BEECHAM PLC (GB) 2003-10-29 CN disclosed
EP-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 EP disclosed
EP-1305308-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-05-02 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
WO-2002010169-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-07 WO disclosed
WO-2002008224-A1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM P.L.C. (GB) 2002-01-31 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 (6 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-20050239789-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a] indoles GPR119, INSR, GIPR ALOX15 846/4885HRH4 233/4885HPGD 3905/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 ALOX15 184/4885HRH4 1161/4885HPGD 2291/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR ALOX15 846/4885HRH4 233/4885HPGD 3905/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 ALOX15 1001/4885HRH4 1324/4885HPGD 1383/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A ALOX15 261/4885HRH4 1939/4885HPGD 2929/4885
US-20060014749-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterial activity AZI2, NPEPPS, AMPD2 ALOX15 3658/4885HRH4 484/4885HPGD 1193/4885

“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.