SCHEMBL176753

SCHEMBL176753

OCc1nn(C2CCCCO2)c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
HTR3A P46098 2/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
ATR Q13535 1/20 0.41
MAOB P27338 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CMKLR1 Q99788 1/20 0.39
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DYRK1A Q13627 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
SCHEMBL3338915 0.93 HTR3A (0.40) CYP4F2CYP4A11HTR3ACNR1CNR2
SCHEMBL177024 0.91 CYP4F2 (0.43) CYP4F2CYP4A11HTR3ACNR1CNR2
SCHEMBL176886 0.89 FFAR1 (0.43) CYP4F2CYP4A11HTR3ACNR1CNR2
SCHEMBL177022 0.86 HTR3A (0.48) CYP4F2CYP4A11HTR3ACNR1CNR2
SCHEMBL12348081 0.85 HTR3A (0.41) CYP4F2CYP4A11HTR3ACNR1CNR2
SCHEMBL176881 0.84 CYP4F2 (0.44) CYP4F2CYP4A11HTR3ACNR1CNR2
SCHEMBL177395 0.84 PPARG (0.42) CYP4F2CYP4A11HTR3ACNR1CNR2
SCHEMBL12093548 0.84 HRH3 (0.39) CYP4F2CYP4A11CNR1CNR2HRH3
SCHEMBL2303237 0.84 HTR3A (0.44) CYP4F2CYP4A11HTR3ACNR1CNR2
SCHEMBL2306776 0.83 HTR3A (0.42) CYP4F2CYP4A11HTR3ACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-20120225909-A1 INDAZOLE ANALOG ASAHI KASEI PHARMA CORPORATION (JP) 2012-09-06 US disclosed
EP-2484668-A1 INDAZOLE ANALOGUE Asahi Kasei Pharma Corporation (JP) 2012-08-08 EP disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
EP-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 EP disclosed
EP-2345644-A1 INDAZOLE COMPOUND Asahi Kasei Pharma Corporation (JP) 2011-07-20 EP disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US 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 (3 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-20120225909-A1 INDAZOLE ANALOG ADRB3, ADRB1, ADRB2 CYP4F2 1257/4885CYP4A11 190/4885HTR3A 13/4885
US-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 CYP4F2 937/4885CYP4A11 137/4885HTR3A 37/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A CYP4F2 394/4885CYP4A11 127/4885HTR3A 51/4885

“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.