SCHEMBL17987394

SCHEMBL17987394

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ HPGD P15428 4/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ LMNA P02545 2/20 0.46
▸ OPRM1 P35372 2/20 0.41
▸ ALPL P05186 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ BUB1 O43683 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ OPRD1 P41143 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
SCHEMBL20629820 0.88 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL17987118 0.87 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL17987481 0.87 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL17987536 0.84 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL17963607 0.84 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL17963584 0.84 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL17987347 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL17987535 0.80 ALDH1A1 (0.64) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL20630352 0.79 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1HPGDNPSR1
SCHEMBL17987383 0.79 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1HPGDNPSR1

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.

Send feedback