Sugi Predict

Sugi Predict / Compounds / SCHEMBL1398003

SCHEMBL1398003

SCHEMBL1398003

CCOC(=O)c1cc2cc(OC3CCN(C(C)C)CC3)c(Br)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.50
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ ALOX15 P16050 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MMP13 P45452 2/20 0.41
▸ MMP2 P08253 1/20 0.41

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
SCHEMBL3247912 0.90 HRH3 (0.52) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL1397997 0.88 HRH3 (0.50) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL1553422 0.86 HRH3 (0.54) HRH3
Hydrochloric Acid SCHEMBL1398005 0.85 HRH3 (0.53) HRH3
SCHEMBL18331877 0.83 HRH3 (0.54) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL18331897 0.83 PDE4D (0.45) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL18332180 0.82 HRH3 (0.49) HRH3
SCHEMBL5023499 0.82 HRH3 (0.66) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL1397942 0.82 HRH3 (0.68) HRH3KDM4EALDH1A1HPGDRAB9A
SCHEMBL3244092 0.81 HRH3 (0.56) HRH3KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3312172-B1 AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-05-06 — — EP disclosed
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
WO-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 — — WO disclosed
EP-1968967-B1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2011-04-27 — — EP disclosed
EP-1957479-B1 1,5-SUBSTITUTED INDOL-2-YL AMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-03-02 — — EP disclosed
US-7786109-B2 Tricyclic amide derivatives as modulators of H3 receptors HOFFMANN-LA ROCHE INC. (US) 2010-08-31 — — US disclosed
US-7745479-B2 1,5-substituted indol-2-yl amide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-06-29 — — US disclosed
EP-2118089-B1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-05-12 — — EP disclosed
EP-2118089-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-11-18 — — EP disclosed
EP-1960401-B1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-11-11 — — EP disclosed
US-7507736-B2 Indol-2-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 — — US disclosed
EP-1968967-A1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-09-17 — — EP disclosed
EP-1960401-A1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 — — EP disclosed
WO-2008095821-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-14 — — WO disclosed
US-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2008-08-07 — — US disclosed
WO-2007065820-A1 TRICYCLIC AMIDE DERIVATIVES USEFUL FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2007-06-14 — — WO disclosed
US-20070135416-A1 Tricyclic amide derivatives HOFFMANN-LA ROCHE INC. 2007-06-14 — — US disclosed
WO-2007062997-A1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — WO disclosed
US-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 — — US disclosed
US-20070123515-A1 1,5-Substituted indol-2-yl amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 — — 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 (4 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-20070135416-A1 Tricyclic amide derivatives HRH4, HRH3, HCAR1 HRH3 2/4885KDM4E 1795/4885ALDH1A1 784/4885
US-20070123515-A1 1,5-Substituted indol-2-yl amide derivatives HRH4, HRH3, HRH2 HRH3 2/4885KDM4E 810/4885ALDH1A1 509/4885
US-20080188484-A1 INDOL-2-YL-PIPERAZIN-1-YL-METHANONE DERIVATIVES HRH4, HRH3, HRH2 HRH3 2/4885KDM4E 852/4885ALDH1A1 487/4885
US-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives MTNR1A, HTR1A, HRH4 HRH3 4/4885KDM4E 2092/4885ALDH1A1 429/4885

“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.