SCHEMBL2239656

SCHEMBL2239656

CCCc1nn(Cc2ccccc2)c2cc(OCCN(Cc3ccccc3)CC(O)c3cccc(N(Cc4ccccc4)S(C)(=O)=O)c3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.35
NR1H3 Q13133 2/20 0.35
KCNH2 Q12809 1/20 0.34
MAOB P27338 2/20 0.33
PER2 O15055 4/20 0.32
CRY1 Q16526 3/20 0.32
CRY2 Q49AN0 3/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTPN1 P18031 2/20 0.32
PDE5A O76074 1/20 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
SCHEMBL2239649 1.00 GRM2 (0.35) GRM2NR1H3KCNH2MAOBPER2
SCHEMBL257413 0.80 MAOB (0.41) KCNH2MAOBCYP1A2CYP2D6CYP2C9
SCHEMBL7248052 0.78 NR1H3 (0.40) GRM2NR1H3KCNH2MAOBPER2
SCHEMBL7526000 0.78 NR1H3 (0.40) GRM2NR1H3KCNH2MAOBPER2
SCHEMBL7244459 0.78 NR1H3 (0.40) GRM2NR1H3KCNH2MAOBPER2
SCHEMBL1120896 0.78 GAA (0.42) NR1H3MAOBALDH1A1CYP1A2CYP2D6
SCHEMBL5194303 0.78 NR1H3 (0.38) GRM2NR1H3MAOB
SCHEMBL5193993 0.75 NR1H3 (0.37) GRM2NR1H3KCNH2MAOB
SCHEMBL1120784 0.75 NPSR1 (0.39) NR1H3MAOBALDH1A1CYP2D6MAPT
SCHEMBL7244999 0.73 GRM2 (0.47) GRM2PER2CRY1CRY2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008506-B2 Indazole compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-08-30 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 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-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A GRM2 1395/4885NR1H3 76/4885KCNH2 1669/4885

“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.