SCHEMBL20547125

SCHEMBL20547125

CC1(C)CC(=O)c2c(noc2Cc2ccc(OCCC(=O)N3CCC(O)C3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ CYP11B2 P19099 2/20 0.44
▸ LTA4H P09960 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CYP2D6 P10635 3/20 0.33
▸ SLC5A1 P13866 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ RAB9A P51151 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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
SCHEMBL17987410 1.00 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACYP11B2LTA4H
SCHEMBL17987369 0.96 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYP11B2LTA4H
SCHEMBL20558528 0.96 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACYP11B2LTA4H
SCHEMBL20630115 0.88 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ACYP11B2GAA
SCHEMBL17963596 0.84 CYP11B2 (0.60) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL17987303 0.84 CYP11B2 (0.60) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL17963597 0.84 CYP11B2 (0.60) ALDH1A1MEN1KMT2ACYP11B2HPGD
SCHEMBL17987414 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ACYP11B2LTA4H
SCHEMBL17987408 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP11B2GAA
SCHEMBL17987404 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ACYP11B2LTA4H

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-3250569-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2019-01-09 — — EP disclosed
US-10131642-B1 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-20 — — US disclosed
US-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-11-01 — — 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 (2 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-20180312475-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 ALDH1A1 250/4885MEN1 610/4885KMT2A 3968/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 ALDH1A1 250/4885MEN1 610/4885KMT2A 3968/4885

“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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