SCHEMBL6099018

SCHEMBL6099018

O=C1CCc2[nH]ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
CRBN Q96SW2 4/20 0.42
CA9 Q16790 1/20 0.40
MAPT P10636 3/20 0.38
KIF11 P52732 3/20 0.34
AHR P35869 1/20 0.33
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 2/20 0.33
MMP12 P39900 1/20 0.33
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
CYP2C9 P11712 2/20 0.32

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
SCHEMBL8621801 0.88 MAPT (0.48) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL31619130 0.78 AHR (0.42) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL8623203 0.70 ALDH1A1 (0.32) CRBNMAPTALDH1A1CYP1A2TSHR
SCHEMBL8620213 0.70 ANPEP (0.32)
SCHEMBL2438190 0.68 PDE3B (0.39) PDE3BPDE3ACYP11B1CYP11B2
SCHEMBL7010445 0.68 MAP2K1 (0.32) CRBN
SCHEMBL15828532 0.67
SCHEMBL4650183 0.64 CRBN (0.40) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL31626731 0.64 CYP11B1 (0.35) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL24282441 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683554-B Pyrrolopiperidone condensed ring derivative and synthetic method and application thereof 重庆文理学院 2024-01-16 CN disclosed
CN-113683554-B Pyrrolopiperidone condensed ring derivative and synthetic method and application thereof 重庆文理学院 2024-01-16 CN disclosed
US-7071207-B2 Preparation and use of 1,5,6,7-tetrahydropyrrolo[3,2-c]pyridine derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-07-04 US disclosed
US-20060122215-A1 Preparation and use of 1,5,6,7-tetrahydropyrrolo[3,2-C]pyridine derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-08 US disclosed
EP-1432708-B1 PREPARATION AND USE OF 1,5,6,7-TETRAHYDROPYRROLO 3,2-C]PYRIDINE DERIVATIVES FOR TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORP (US) 2005-11-30 EP disclosed
US-20040224970-A1 Preparation and use of 1,5,6,7-tetrahydropyrrolo[3,2-c]pyridine derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US disclosed
EP-1432708-A1 PREPARATION AND USE OF 1,5,6,7-TETRAHYDROPYRROLO 3,2-C]PYRIDINE DERIVATIVES FOR TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027114-A1 PREPARATION AND USE OF 1,5,6,7-TETRAHYDROPYRROLO[3,2-C]PYRIDINE DERIVATIVES FOR TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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 (2 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-20040224970-A1 Preparation and use of 1,5,6,7-tetrahydropyrrolo[3,2-c]pyridine derivatives for treatment of obesity GPR119, GIPR, PGC NPC1 2354/4885MAPK13 2867/4885MAPK12 2311/4885
US-20060122215-A1 Preparation and use of 1,5,6,7-tetrahydropyrrolo[3,2-C]pyridine derivatives for the treatment of obesity GPR119, GIPR, PGC NPC1 2668/4885MAPK13 1858/4885MAPK12 1482/4885

“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.