SCHEMBL6613583

SCHEMBL6613583

Cc1c(C(=O)NCC2CCCCC2)cc(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.61
CA1 P00915 11/20 0.54
CA2 P00918 11/20 0.54
CA9 Q16790 11/20 0.54
CNR2 P34972 2/20 0.53
NPC1 O15118 1/20 0.50
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
SLC6A4 P31645 2/20 0.49
RIPK1 Q13546 1/20 0.47
POLB P06746 1/20 0.47
CNR1 P21554 1/20 0.46

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
SCHEMBL5922300 0.77 PLK1 (0.67) PLK1CA1CA2CA9CNR2
SCHEMBL11962153 0.77 PLK1 (1.00) PLK1CA1CA2CA9CNR2
SCHEMBL13794378 0.76 MCHR1 (0.58) PLK1
SCHEMBL2856642 0.75 HPGD (0.63) NPC1RIPK1POLB
SCHEMBL16404255 0.75 CNR1 (0.70) CNR2HTR2AHTR2CSLC6A4RIPK1
SCHEMBL5922333 0.74 PLK1 (0.75) PLK1CA1CA2CA9CNR2
SCHEMBL3262582 0.74 NPC1 (0.53) NPC1HTR2AHTR2CSLC6A4POLB
SCHEMBL2449412 0.73 PLK1 (0.73) PLK1CA1CA2CA9
SCHEMBL561184 0.73 RXFP1 (0.47) CNR2NPC1HTR2AHTR2CSLC6A4
SCHEMBL6175361 0.73 NPC1 (0.61) NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040267028-A1 Preparation and use of pyrrole derivatives for treating obesity BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
EP-1432679-A1 PREPARATION AND USE OF PYRROLE DERIVATIVES FOR TREATING OBESITY Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027069-A1 PREPARATION AND USE OF PYRROLE DERIVATIVES FOR TREATING 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 (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-20040267028-A1 Preparation and use of pyrrole derivatives for treating obesity PGC, GIPR, GPR119 PLK1 1601/4885CA1 4395/4885CA2 3609/4885

“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.