SCHEMBL16271595

SCHEMBL16271595

CC(C)(N)c1cc(Cl)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ TSHR P16473 7/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TMPRSS4 Q9NRS4 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ TP53 P04637 3/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ LMNA P02545 2/20 0.31

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
SCHEMBL14991648 0.83 TSHR (0.39) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL15143953 0.83 MAPK1 (0.38) TSHRCYP3A4MAPK1TDP1HTT
SCHEMBL24730488 0.79 PGR (0.41) TSHRCYP3A4MAPK1TDP1HTT
SCHEMBL16579383 0.78 TSHR (0.44) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL30017641 0.78 TSHR (0.44) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL16579355 0.77 CYP3A4 (0.50) SLC6A2HTR2ASLC6A4HRH1HTR2B
SCHEMBL8389745 0.75 HSD17B10 (0.48) TSHRCYP3A4MAPK1TDP1HTT
SCHEMBL29960430 0.75 DDR1 (0.36) TSHRCYP3A4MAPK1TDP1HTT
SCHEMBL31193921 0.74 TMPRSS4 (0.51) TSHRCYP3A4MAPK1TDP1HTT
SCHEMBL16579369 0.74 TSHR (0.58) SLC6A2HTR2ASLC6A4HRH1HTR2B

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3719019-B1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-01-19 — — EP disclosed
EP-3719019-B1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-01-19 — — EP disclosed
EP-3204383-B1 SPIRODIAMINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2020-11-18 — — EP disclosed
EP-3204383-B1 SPIRODIAMINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS HOFFMANN LA ROCHE (CH) 2020-11-18 — — EP disclosed
EP-3719019-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-07 — — EP disclosed
EP-3719019-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2020-10-07 — — EP disclosed
EP-3004089-B1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2020-05-06 — — EP disclosed
EP-3004089-B1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2020-05-06 — — EP disclosed
EP-3004077-B1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2019-10-30 — — EP disclosed
EP-3004077-B1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2019-10-30 — — EP disclosed
WO-2016055394-A1 SPIRODIAMINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2016-04-14 — — WO disclosed
US-20160075686-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-03-17 — — US disclosed
US-20160075688-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-03-17 — — US disclosed
US-20160075687-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-03-17 — — US disclosed
US-20160075686-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-03-17 — — US disclosed
US-20160075688-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-03-17 — — US disclosed
US-20160075687-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2016-03-17 — — US disclosed
WO-2014191336-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-12-04 — — WO disclosed
WO-2014191340-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-12-04 — — WO disclosed
WO-2014191338-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-12-04 — — 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 (3 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-20160075687-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS DRD4, QDPR, DRD3 SLC6A2 3565/4885HTR2A 1046/4885SLC6A4 2467/4885
US-20160075688-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS DRD4, QDPR, DRD3 SLC6A2 3565/4885HTR2A 1046/4885SLC6A4 2467/4885
US-20160075686-A1 NEW 3,4-DIHYDRO-2H-ISOQUINOLINE-1-ONE AND 2,3-DIHYDRO-ISOINDOL-1-ONE COMPOUNDS DRD4, DRD3, QDPR SLC6A2 3628/4885HTR2A 1215/4885SLC6A4 2334/4885

“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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