SCHEMBL4038892

SCHEMBL4038892

CCOC(=O)/C(C)=N\Nc1cccc(Br)c1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 10/20 0.46
MAPT P10636 5/20 0.45
GPR35 Q9HC97 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TP53 P04637 1/20 0.40
ALDH1A1 P00352 4/20 0.39
ATM Q13315 2/20 0.38
NPC1 O15118 1/20 0.38
DHODH Q02127 1/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KYAT1 Q16773 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL4038895 1.00 GAA (0.46) GAAMAPTGPR35CYP3A4CYP2D6
SCHEMBL5361513 0.84 GAA (0.46) GAAMAPTGPR35CYP3A4CYP2D6
SCHEMBL4045104 0.84 MAPT (0.45) GAAMAPTGPR35CYP3A4CYP2D6
SCHEMBL4045106 0.84 MAPT (0.45) GAAMAPTGPR35CYP3A4CYP2D6
SCHEMBL4045099 0.84 MAPT (0.45) GAAMAPTGPR35CYP3A4CYP2D6
SCHEMBL5361515 0.84 GAA (0.46) GAAMAPTGPR35CYP3A4CYP2D6
SCHEMBL5353227 0.84 ALDH1A1 (0.58) GAAMAPTGPR35TP53ALDH1A1
SCHEMBL5353225 0.84 ALDH1A1 (0.58) GAAMAPTGPR35TP53ALDH1A1
SCHEMBL21740004 0.80 GAA (0.56) GAAMAPTGPR35CYP3A4CYP2D6
SCHEMBL13684500 0.80 GAA (0.53) GAAMAPTCYP3A4CYP2D6ALDH1A1

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 5 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-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-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

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-20020169163-A1 Piperazine derivatives GPR119, SLC5A2, DPP4 GAA 1920/4885MAPT 2391/4885GPR35 184/4885

“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.