SCHEMBL17963607

SCHEMBL17963607

CC1(C)CC(=O)c2c(noc2Cc2ccc(C#N)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.60
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ CYP11B2 P19099 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ GRM5 P41594 1/20 0.42
▸ BUB1 O43683 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL17987537 0.86 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL20629820 0.85 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987481 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987118 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987394 0.84 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987313 0.84 CYP11B2 (0.47) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987317 0.82 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17963586 0.82 MEN1 (0.41) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17987536 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2
SCHEMBL17963584 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AHPGDSMN1; 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 7 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
EP-3250569-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-12-06 — — EP disclosed
WO-2016123275-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-04 — — WO 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 250/4885MEN1 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.

Send feedback