SCHEMBL2306776

SCHEMBL2306776

COC(C)c1nn(C2CCCCO2)c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.42
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
CMKLR1 Q99788 8/20 0.41
ATR Q13535 1/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
DYRK1A Q13627 1/20 0.38
MAOB P27338 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL2303237 0.90 HTR3A (0.44) HTR3ACYP4F2CYP4A11CMKLR1ATR
SCHEMBL12429913 0.86 HRH3 (0.35) CYP4F2CYP4A11ATRCNR1CNR2
SCHEMBL177024 0.84 CYP4F2 (0.43) HTR3ACYP4F2CYP4A11CMKLR1ATR
SCHEMBL176753 0.83 CYP4F2 (0.44) HTR3ACYP4F2CYP4A11CMKLR1ATR
SCHEMBL2307876 0.81 CYP4F2 (0.39) HTR3ACYP4F2CYP4A11CMKLR1ATR
SCHEMBL177022 0.81 HTR3A (0.48) HTR3ACYP4F2CYP4A11CMKLR1ATR
SCHEMBL176881 0.81 CYP4F2 (0.44) HTR3ACYP4F2CYP4A11CMKLR1ATR
SCHEMBL24013115 0.79 CYP4F2 (0.47) HTR3ACYP4F2CYP4A11ATRCNR1
SCHEMBL2237767 0.79 HTR3A (0.46) HTR3ACYP4F2CYP4A11CNR1CNR2
SCHEMBL176886 0.78 FFAR1 (0.43) HTR3ACYP4F2CYP4A11CMKLR1ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 EP claimed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US claimed
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
EP-2351742-A1 INDAZOLE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2011-08-03 EP 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 (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-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 HTR3A 37/4885CYP4F2 937/4885CYP4A11 137/4885

“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.