SCHEMBL18790700

SCHEMBL18790700

CC(C)NC(=O)CN1CCN(c2cc(-c3ccc4ccccc4c3)cnn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 10/20 0.56
▸ CYP11B1 P15538 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PTPN11 Q06124 1/20 0.45
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.42
▸ RET P07949 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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 0.85 CYP11B2 (0.66) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18791021 0.82 CYP11B2 (0.69) CYP11B2CYP11B1ALDH1A1LMNATSHR
SCHEMBL18790702 0.78 CYP11B2 (0.52) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18790969 0.78 CYP11B2 (0.52) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL18790691 0.76 CYP11B2 (0.54) CYP11B2CYP11B1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20340176 0.75 CYP11B2 (0.77) CYP11B2CYP11B1
SCHEMBL23679948 0.73 CYP11B2 (0.53) CYP11B2CYP11B1ALDH1A1LMNATSHR
SCHEMBL17207578 0.73 CYP11B2 (0.63) CYP11B2ALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL20338212 0.72 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL31718011 0.72 CYP11B2 (1.00) CYP11B2CYP11B1

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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