SCHEMBL17987122

SCHEMBL17987122

CC1(C)CC(=O)c2c(noc2Cc2ccc(C(=O)N3CCCC3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ CYP11B2 P19099 2/20 0.42
▸ HPGD P15428 5/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PLA2G2A P14555 7/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL17987413 0.89 CYP11B2 (0.54) ALDH1A1KMT2AMEN1CYP11B2HPGD
SCHEMBL20546679 0.89 CYP11B2 (0.54) ALDH1A1KMT2AMEN1CYP11B2HPGD
SCHEMBL17987412 0.89 CYP11B2 (0.54) ALDH1A1KMT2AMEN1CYP11B2HPGD
SCHEMBL17963597 0.86 CYP11B2 (0.60) ALDH1A1KMT2AMEN1CYP11B2HPGD
SCHEMBL17987303 0.86 CYP11B2 (0.60) ALDH1A1KMT2AMEN1CYP11B2HPGD
SCHEMBL17963596 0.86 CYP11B2 (0.60) ALDH1A1KMT2AMEN1CYP11B2HPGD
SCHEMBL17987400 0.86 MEN1 (0.48) ALDH1A1KMT2AMEN1CYP11B2HPGD
SCHEMBL17963584 0.85 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1CYP11B2HPGD
SCHEMBL17987347 0.84 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1CYP11B2HPGD
SCHEMBL17987294 0.83 KMT2A (0.47) ALDH1A1KMT2AMEN1CYP11B2HPGD

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 5 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
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
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 — — 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 (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 250/4885KMT2A 3968/4885MEN1 610/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 ALDH1A1 250/4885KMT2A 3968/4885MEN1 610/4885

“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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