SCHEMBL17478943

SCHEMBL17478943

COC(=O)c1cc(CN2CCOCC2)cnc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 15/20 0.52
▸ ALDH1A1 P00352 2/20 0.47
▸ HCRTR1 O43613 1/20 0.47
▸ HCRTR2 O43614 1/20 0.47
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL17478877 0.95 OPRK1 (0.50) OPRK1ALDH1A1HCRTR1HCRTR2MAPK1
SCHEMBL17478934 0.85 POLB (0.47) ALDH1A1KDM4E
SCHEMBL1645946 0.84 HCRTR1 (0.48) HCRTR1HCRTR2MAPK1SMN1; SMN2
SCHEMBL17478731 0.84 HCRTR1 (0.54) ALDH1A1HCRTR1HCRTR2MAPK1SMN1; SMN2
SCHEMBL19680534 0.84 TP53 (0.44) —
SCHEMBL17478885 0.81 CYP11B2 (0.45) OPRK1ALDH1A1KDM4EHPGD
SCHEMBL29574379 0.80 OPRK1 (0.75) OPRK1
SCHEMBL3719404 0.80 OPRK1 (0.75) OPRK1
SCHEMBL17478760 0.80 CYP11B2 (0.49) HPGD
SCHEMBL17478690 0.80 CYP11B2 (0.44) ALDH1A1SMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573915-B Compounds active against bromodomains 纽韦卢森公司 2020-12-25 — — CN disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 — — US disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 — — US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 — — US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 — — US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 — — US disclosed
EP-3174868-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2017-06-07 — — EP disclosed
WO-2016016316-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2016-02-04 — — 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-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT OPRK1 2806/4885ALDH1A1 3848/4885HCRTR1 3799/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT OPRK1 2806/4885ALDH1A1 3848/4885HCRTR1 3799/4885

“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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