SCHEMBL14778803

SCHEMBL14778803

OC[C@@H]1CCCN1c1cncc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 8/20 0.47
▸ CHRNA4 P43681 8/20 0.47
▸ CHRNB4 P30926 5/20 0.43
▸ CHRNA3 P32297 5/20 0.43
▸ ALDH1A1 P00352 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37
▸ L3MBTL4 Q8NA19 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TYMP P19971 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 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
SCHEMBL14778806 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL14778975 0.85 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL14778977 0.85 CHRNB2 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL24269738 0.84 TYMP (0.41) CHRNB4CHRNA3ADORA3ADORA2AADORA1
SCHEMBL26685508 0.84 TYMP (0.41) CHRNB4CHRNA3ADORA3ADORA2AADORA1
SCHEMBL14779906 0.82 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3ADORA2A
SCHEMBL14779908 0.82 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3ADORA2A
SCHEMBL14779617 0.78 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL14779619 0.78 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL24269736 0.78 FFAR1 (0.39) CHRNB4CHRNA3ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653618-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2025-01-08 — — EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 — — EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 — — EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 — — EP disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 — — EP disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 — — US disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 — — US disclosed
US-9260408-B2 Dihydroquinoline-2-one derivatives HOFFMANN-LA ROCHE INC. (US) 2016-02-16 — — US disclosed
EP-2755963-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 — — EP disclosed
CN-103814021-A New dihydroquinoline-2-one derivatives HOFFMANN LA ROCHE 2014-05-21 — — CN disclosed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 — — WO disclosed
WO-2013037779-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 — — WO disclosed
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 — — US disclosed
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 — — US disclosed
US-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CINCOR PHARMA, INC. 2013-03-21 — — US 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-20130072679-A1 DIHYDROQUINOLINE-2-ONE DERIVATIVES CYP11B1, CYP11B2, HSD11B1 CHRNB2 1135/4885CHRNA4 2935/4885CHRNB4 2281/4885

“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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