Sugi Predict

Sugi Predict / Compounds / SCHEMBL557776

SCHEMBL557776

SCHEMBL557776

CC(C)(C)OC(=O)N1CCC(c2c[nH]c3ccccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.70
▸ BRD4 O60885 1/20 0.70
▸ ALDH1A1 P00352 1/20 0.70
▸ POLB P06746 1/20 0.70
▸ CREBBP Q92793 1/20 0.70
▸ HSD11B1 P28845 2/20 0.54
▸ ATM Q13315 1/20 0.53
▸ KMT2A Q03164 1/20 0.50
▸ GPR119 Q8TDV5 1/20 0.50
▸ CHRM4 P08173 1/20 0.50
▸ JAK2 O60674 1/20 0.50
▸ JAK1 P23458 1/20 0.50
▸ TYK2 P29597 1/20 0.50
▸ JAK3 P52333 1/20 0.50
▸ CCR2 P41597 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ ADRB2 P07550 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ ADRA1D P25100 1/20 0.48

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
Hydrochloric Acid SCHEMBL1703924 0.99 KDM4E (0.68) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL14181451 0.93 KDM4E (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL21714539 0.91 KDM4E (0.58) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5946897 0.88 CCR2 (0.68) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL31295175 0.88 KDM4E (0.55) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5255106 0.87 KDM4E (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL30834269 0.87 KDM4E (0.56) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5946844 0.87 KDM4E (0.54) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5947028 0.87 CCR2 (0.63) KDM4EBRD4ALDH1A1POLBCREBBP
SCHEMBL5946924 0.87 CCR2 (0.63) KDM4EBRD4ALDH1A1POLBCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 — — US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP disclosed
WO-2022078971-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2022-04-21 — — WO disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 — — US disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 — — EP disclosed
CN-111386269-A Novel heterocyclic compound 豪夫迈·罗氏有限公司 2020-07-07 — — CN disclosed
CN-106045966-B Substituted heterocyclic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 — — CN disclosed
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides SYNGENTA CROP PROTECTION, INC. 2007-09-27 — — US disclosed
EP-1777223-A1 Indole derivatives useful as histamine H3 antagonists SCHERING CORPORATION (US) 2007-04-25 — — EP disclosed
CN-1921859-A Indole derivatives for the treatment of bone diseases ASTELLAS PHARMA INC (JP) 2007-02-28 — — CN disclosed
EP-1691807-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES Astellas Pharma Inc. (JP) 2006-08-23 — — EP disclosed
US-20060069123-A1 Substituted dipiperidine CCR2 antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 — — US disclosed
US-20050245540-A1 New methods FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 — — US disclosed
WO-2005056012-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES ASTELLAS PHARMA INC. (JP) 2005-06-23 — — WO disclosed
US-5521175-A CHOLECYSTOKININS AND GASTRIN ANTAGONIST FOR PHYSIOLOGICAL DISORDERS MERCK SHARP & DOHME LTD. (GB) 1996-05-28 — — US disclosed
EP-0652873-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1995-05-17 — — EP disclosed
WO-1994003447-A1 BENZODIAZEPINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1994-02-17 — — 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 (5 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-20060069123-A1 Substituted dipiperidine CCR2 antagonists CCR2, CCR1, CCR5 KDM4E 4452/4885BRD4 415/4885ALDH1A1 934/4885
US-20050245540-A1 New methods TGFB1, TGFBR1, TGFB2 KDM4E 3172/4885BRD4 2570/4885ALDH1A1 885/4885
US-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY KDM4E 1597/4885BRD4 982/4885ALDH1A1 231/4885
US-20070225269-A1 Use of (3-(1-(3-Phenyl-Propenyl)-Piperidin-4-Yl)-2,3-Dihydro-Indol-1-Yl)-(Pyridin-4-Yl)-Methanonone Derivatives and Related Compounds as Insecticides CHRM1, NPY1R, MRM1 KDM4E 1814/4885BRD4 3363/4885ALDH1A1 465/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY KDM4E 1597/4885BRD4 982/4885ALDH1A1 231/4885

“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.