SCHEMBL18790702

SCHEMBL18790702

CC(C)NC(=O)CN1CCN(c2cc(Cl)cnn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 8/20 0.52
▸ CYP11B1 P15538 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ DRD2 P14416 3/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ UGT8 Q16880 3/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ PTPN11 Q06124 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
SCHEMBL18790969 0.86 CYP11B2 (0.52) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23679948 0.81 CYP11B2 (0.53) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18791093 0.80 CYP11B2 (0.66) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL22236812 0.79 CYP11B2 (0.51) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18791021 0.78 CYP11B2 (0.69) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18790700 0.78 CYP11B2 (0.56) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18790990 0.77 ALDH1A1 (0.52) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18790691 0.76 CYP11B2 (0.54) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6917770 0.73 ALDH1A1 (0.56) CYP11B2ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL20255264 0.73 ALDH1A1 (0.53) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3381904-B1 NOVEL NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2021-07-28 — — EP disclosed
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 6/4885ALDH1A1 1495/4885

“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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