SCHEMBL18790971

SCHEMBL18790971

COCc1ccc(-c2cnnc(N3CCN(CC(=O)OC)CC3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 5/20 0.44
▸ CYP11B1 P15538 2/20 0.39
▸ MAP4K1 Q92918 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ CNR2 P34972 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL18790973 0.91 CYP11B2 (0.43) CYP11B2CYP11B1MAP4K1HTR6CYP3A4
SCHEMBL18790970 0.78 TGFBR1 (0.42) MAP4K1HTR6CYP3A4KCNH2
SCHEMBL18791027 0.74 CYP11B2 (0.48) CYP11B2CYP11B1CYP3A4
SCHEMBL18790704 0.74 SLC6A9 (0.47) CYP11B2CYP11B1SMN1; SMN2
SCHEMBL18791026 0.72 GAA (0.53) CYP11B2CYP11B1CYP3A4
SCHEMBL18791093 0.72 CYP11B2 (0.66) CYP11B2CYP11B1ALDH1A1SMN1; SMN2
SCHEMBL12504037 0.70 DRD2 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL18791038 0.69 CYP11B2 (0.64) CYP11B2CYP11B1MAPTALDH1A1TSHR
SCHEMBL18791104 0.69 CYP11B2 (0.51) CYP11B2CYP11B1CYP3A4MAPTALDH1A1
SCHEMBL18791021 0.69 CYP11B2 (0.69) CYP11B2CYP11B1TRPV1MAPTALDH1A1

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 6/4885MAP4K1 1167/4885

“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