SCHEMBL17456297

SCHEMBL17456297

O=C1OCCc2ncn(Cc3ccccc3)c21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 3/20 0.53
▸ TNF P01375 1/20 0.45
▸ CYP11B1 P15538 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PIK3CD O00329 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PIK3CB P42338 1/20 0.40
▸ PIK3CG P48736 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ IDO1 P14902 1/20 0.40

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
SCHEMBL17456294 0.77 CYP11B2 (0.67) CYP11B2TNFCYP11B1TSHRALDH1A1
SCHEMBL16068380 0.72 CYP11B2 (0.54) CYP11B2TNFCYP11B1TSHRALDH1A1
SCHEMBL17456292 0.70 CYP11B2 (0.61) CYP11B2TNFCYP11B1TSHRALDH1A1
SCHEMBL17456272 0.70 CYP11B2 (0.61) CYP11B2TNFCYP11B1TSHRALDH1A1
SCHEMBL22751731 0.69 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL11845875 0.68 CYP11B2 (0.47) CYP11B2TNFCYP11B1TSHRGAA
SCHEMBL17456315 0.68 CYP11B2 (0.65) CYP11B2
SCHEMBL15624418 0.68 CYP11B2 (0.49) CYP11B2TNFCYP11B1TSHRALDH1A1
SCHEMBL25584157 0.66 CYP11B2 (0.52) CYP11B2
SCHEMBL29692294 0.65 SMN1; SMN2 (0.64) CYP11B2TNFCYP11B1SMN1; SMN2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3172212-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 — — EP disclosed
EP-3172212-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 — — EP disclosed
EP-3172212-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-05-31 — — EP disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 — — US disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 — — US disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 — — US disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — US disclosed
WO-2016014736-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — WO disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — US disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — US disclosed
WO-2016014736-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 — — 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-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 CYP11B2 3/4885TNF 2948/4885CYP11B1 1/4885

“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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