SCHEMBL22236800

SCHEMBL22236800

Cc1c(-c2ccc(F)cc2)cnnc1N1CCN(CC(=O)NC(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 15/20 0.52
▸ CYP11B1 P15538 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ REV1 Q9UBZ9 1/20 0.44
▸ GRIN2B Q13224 1/20 0.42

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
SCHEMBL18791093 0.80 CYP11B2 (0.66) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL22236798 0.72 HTR7 (0.49) —
SCHEMBL18502833 0.70 CYP11B2 (0.76) CYP11B2
SCHEMBL18791021 0.69 CYP11B2 (0.69) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL12082132 0.68 GFER (0.57) KDM4EALDH1A1SMN1; SMN2TDP1
SCHEMBL31718011 0.68 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL18790969 0.68 CYP11B2 (0.52) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18790702 0.68 CYP11B2 (0.52) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18790700 0.67 CYP11B2 (0.56) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL17207558 0.67 CYP11B2 (0.75) CYP11B2

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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