SCHEMBL17987314

SCHEMBL17987314

CN1CCN(C(=O)c2ccc(Cc3onc4c3C(=O)OC(C)(C)C4)cc2)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 10/20 0.42
▸ KCNH2 Q12809 1/20 0.38
▸ GPR84 Q9NQS5 1/20 0.37
▸ P2RX7 Q99572 4/20 0.36
▸ CECR2 Q9BXF3 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC6A7 Q99884 1/20 0.35
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL17963609 0.83 CYP11B2 (0.48) PLA2G2AMEN1ALDH1A1KMT2A
SCHEMBL17963610 0.83 CYP11B2 (0.48) PLA2G2AMEN1ALDH1A1KMT2A
SCHEMBL17963580 0.81 ALDH1A1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL17987304 0.80 PLA2G2A (0.43) PLA2G2AKCNH2GPR84P2RX7CECR2
SCHEMBL17987316 0.78 RAB9A (0.45) MEN1ALDH1A1KMT2A
SCHEMBL17963588 0.76 MEN1 (0.40) MEN1ALDH1A1KMT2A
SCHEMBL17987358 0.73 MEN1 (0.44) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL17987122 0.73 ALDH1A1 (0.54) PLA2G2AMEN1ALDH1A1KMT2APARP1
SCHEMBL17963586 0.73 MEN1 (0.41) KCNH2MEN1ALDH1A1KMT2A
SCHEMBL20547143 0.72 CYP11B2 (0.47) MEN1ALDH1A1KMT2A

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 PLA2G2A 3992/4885KCNH2 1839/4885GPR84 2220/4885
US-10131642-B1 Aldosterone synthase inhibitors CYP21A2, CYP11B1, CYP17A1 PLA2G2A 3992/4885KCNH2 1839/4885GPR84 2220/4885

“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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