SCHEMBL18791093

SCHEMBL18791093

CC(C)NC(=O)CN1CCN(c2cc(-c3ccc(F)cc3)cnn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 15/20 0.66
▸ CYP11B1 P15538 2/20 0.66
▸ GRIN2B Q13224 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL18791021 0.89 CYP11B2 (0.69) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18790700 0.85 CYP11B2 (0.56) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18791027 0.85 CYP11B2 (0.48) CYP11B2CYP11B1
SCHEMBL18791026 0.82 GAA (0.53) CYP11B2CYP11B1
SCHEMBL20340176 0.81 CYP11B2 (0.77) CYP11B2CYP11B1
SCHEMBL18790969 0.80 CYP11B2 (0.52) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18790702 0.80 CYP11B2 (0.52) CYP11B2CYP11B1KDM4EALDH1A1SMN1; SMN2
SCHEMBL31718011 0.80 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL20338212 0.80 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL22236800 0.80 CYP11B2 (0.52) CYP11B2CYP11B1GRIN2BKDM4EALDH1A1

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-10717731-B2 Nitrogen-containing aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2020-07-21 — — US disclosed
WO-2017069226-A1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2017-04-27 — — WO 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 6/4885GRIN2B 3021/4885

“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.

Send feedback