SCHEMBL4042958

SCHEMBL4042958

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 3/20 0.59
HPGD P15428 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 1/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.59
ATM Q13315 1/20 0.59
HSD17B10 Q99714 1/20 0.57
ALOX15 P16050 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
MMP13 P45452 8/20 0.52
MMP2 P08253 6/20 0.52

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
SCHEMBL8959784 0.88 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL17226840 0.87 KDM4E (0.56) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL7681890 0.84 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL6302965 0.80 KDM4E (0.58) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4049040 0.79 ALOX15 (0.66) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL18332191 0.79 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL4041495 0.79 KDM4E (0.63) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL8959587 0.79 KDM4E (0.67) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL30719997 0.78 KDM4E (0.68) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL926927 0.78 KDM4E (0.68) ALDH1A1KDM4EHPGDRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-1325008-A1 PIPERAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-07-09 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 ALDH1A1 368/4885KDM4E 739/4885HPGD 3905/4885
US-20030216401-A1 Anti-obesity 1, 2, 3, 4, 10, 10a-hexahydropyrazino[1, 2-a] indoles GPR119, INSR, IRS1 ALDH1A1 254/4885KDM4E 1176/4885HPGD 2291/4885
US-20070106076-A1 Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles GPR119, INSR, GIPR ALDH1A1 368/4885KDM4E 739/4885HPGD 3905/4885
US-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 ALDH1A1 1203/4885KDM4E 2045/4885HPGD 1383/4885
US-20020035110-A1 Anti-obesity 1,2,3,4,10,10-a-hexahydropy razino [1,2-a] indoles GPR119, HTR1D, HTR1A ALDH1A1 225/4885KDM4E 657/4885HPGD 2929/4885

“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.