SCHEMBL22236812

SCHEMBL22236812

CC1CCC(c2cnnc(N3CCN(CC(=O)NC(C)C)CC3)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 10/20 0.51
▸ CYP11B1 P15538 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ UGT8 Q16880 3/20 0.40
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR8 Q9NR97 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PTPN11 Q06124 1/20 0.38
▸ CHRM5 P08912 1/20 0.38
▸ CHRM3 P20309 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
SCHEMBL23679948 0.92 CYP11B2 (0.53) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18791007 0.82 ALDH1A1 (0.46) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18790969 0.79 CYP11B2 (0.52) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18790702 0.79 CYP11B2 (0.52) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18790691 0.78 CYP11B2 (0.54) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18791093 0.74 CYP11B2 (0.66) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18791021 0.74 CYP11B2 (0.69) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18790700 0.72 CYP11B2 (0.56) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL23862112 0.70 CHRM5 (0.62) KDM4EALDH1A1SMN1; SMN2TDP1HTT
SCHEMBL23679949 0.70 CYP11B2 (0.46) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — 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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound REN, NR3C2, NR5A1 CYP11B2 8/4885CYP11B1 6/4885KDM4E 2819/4885

“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.

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