SCHEMBL4045099

SCHEMBL4045099

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 8/20 0.43
GPR35 Q9HC97 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
NLRP3 Q96P20 1/20 0.40
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL4045106 1.00 MAPT (0.45) MAPTSMN1; SMN2GAAGPR35CYP3A4
SCHEMBL4045104 1.00 MAPT (0.45) MAPTSMN1; SMN2GAAGPR35CYP3A4
SCHEMBL5353016 0.89 MAPT (0.45) MAPTSMN1; SMN2GAAGPR35CYP3A4
SCHEMBL5353012 0.89 MAPT (0.45) MAPTSMN1; SMN2GAAGPR35CYP3A4
SCHEMBL1804965 0.85 MEN1 (0.55) MAPTSMN1; SMN2GAAGPR35CYP3A4
SCHEMBL1804963 0.85 MEN1 (0.55) MAPTSMN1; SMN2GAAGPR35CYP3A4
SCHEMBL4038892 0.84 GAA (0.46) MAPTSMN1; SMN2GAAGPR35CYP3A4
SCHEMBL5353225 0.84 ALDH1A1 (0.58) MAPTSMN1; SMN2GAAGPR35ALDH1A1
SCHEMBL5353227 0.84 ALDH1A1 (0.58) MAPTSMN1; SMN2GAAGPR35ALDH1A1
SCHEMBL4038895 0.84 GAA (0.46) MAPTSMN1; SMN2GAAGPR35CYP3A4

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 MAPT 2391/4885SMN1; SMN2 491/4885GAA 1920/4885

“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.