SCHEMBL5367869

SCHEMBL5367869

O=C(O)n1c2c(c3cc(C(F)(F)F)ccc31)CCNC2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.45
HTR6 P50406 3/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
KCNH2 Q12809 1/20 0.38
PTGDR Q13258 1/20 0.37
ASIC3 Q9UHC3 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL5376877 0.90 MCHR1 (0.50) MCHR1HTR6ASIC3
SCHEMBL5376117 0.84 PTGS1 (0.42) HTR6PTGDR2PTGS1PTGS2
SCHEMBL5372839 0.82 PTGS1 (0.42) MCHR1HTR6PTGS1PTGS2
SCHEMBL5376070 0.81 HTR2A (0.44) MCHR1HTR6PTGS1PTGS2
SCHEMBL5371664 0.78 PTGS1 (0.63) MCHR1HTR6PTGDR2PTGS1PTGS2
SCHEMBL5373439 0.78 HTR6 (0.58) HTR6PTGS1PTGS2
SCHEMBL5375896 0.76 HTR6 (0.41) MCHR1HTR6PTGS1PTGS2
Hydrochloric Acid SCHEMBL3096737 0.74 PTGDR2 (0.58) HTR6PTGDR2PTGS1PTGS2PTGDR
SCHEMBL5376849 0.73 MCHR1 (0.47) MCHR1HTR6
SCHEMBL6628574 0.70 PTGS1 (0.46) MCHR1HTR6PTGS1PTGS2AKR1C3

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
EP-1714961-B1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-09 EP disclosed
US-20070173537-A1 Indazole compound and pharmaceutical use thereof MITSUBISHI PHARMA CORPORATION (JP) 2007-07-26 US disclosed
EP-1714961-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2006-10-25 EP 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-20070173537-A1 Indazole compound and pharmaceutical use thereof CYP3A5, CYP3A43, TP53 MCHR1 4604/4885HTR6 2138/4885PTGDR2 3070/4885

“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.