Sugi Predict

Sugi Predict / Compounds / SCHEMBL59331

SCHEMBL59331

SCHEMBL59331

FC(F)(F)Oc1ccc(N2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 6/20 0.61
▸ HTR3E A5X5Y0 5/20 0.61
▸ HTR3B O95264 5/20 0.61
▸ HTR3A P46098 5/20 0.61
▸ HTR3D Q70Z44 5/20 0.61
▸ HTR3C Q8WXA8 5/20 0.61
▸ SIGMAR1 Q99720 5/20 0.61
▸ LTA4H P09960 4/20 0.57
▸ SCN4A P35499 1/20 0.51
▸ SCN9A Q15858 1/20 0.51
▸ ADRB2 P07550 1/20 0.47
▸ NCF1 P14598 1/20 0.47
▸ PLD1 Q13393 1/20 0.47
▸ KCNA5 P22460 1/20 0.47
▸ HTR1D P28221 2/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR5A P47898 1/20 0.46

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 SCHEMBL28885740 0.98 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14341118 0.95 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5233334 0.94 ADRB1 (0.54) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL30424403 0.89 ADRB1 (0.49) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5543670 0.85 L3MBTL3 (0.49) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3937241 0.85 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29471932 0.83 KCNA5 (0.50) KCNA5ALDH1A1KCNH2MAPTKDM4E
SCHEMBL2426703 0.83 KCNA5 (0.50) KCNA5ALDH1A1KCNH2MAPTTHRB
SCHEMBL31466001 0.83 SCN4A (0.44) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL28161315 0.81 EPHX2 (0.50) KCNA5ALDH1A1KCNH2MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114751858-B Quinolinyl-containing tranexamic acid derivative and preparation and application thereof 沈阳药科大学 2023-09-12 — — CN claimed
CN-114751858-A Quinolinyl-containing tranexamic acid derivative, preparation and application thereof 沈阳药科大学 2022-07-15 — — CN claimed
WO-1999019297-A9 SYNTHESIS OF AZETIDINE DERIVATIVES COELACANTH CHEMICAL CORP (US) 1999-07-08 — — WO claimed
WO-1999019297-A1 SYNTHESIS OF AZETIDINE DERIVATIVES COELACANTH CHEMICAL CORPORATION (US) 1999-04-22 — — WO claimed
US-20250109103-A1 (2,5-DIOXOPYRROLIDIN-1-YL)(PHENYL)-ACETAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES UNIWERSYTET JAGIELLONSKI (PL) 2025-04-03 — — US disclosed
US-12139458-B2 (2,5-dioxopyrrolidin-1-yl)(phenyl)-acetamide derivatives and their use in the treatment of neurological diseases UNIWERSYTET JAGIELLONSKI (PL) 2024-11-12 — — US disclosed
CN-118598791-A N- (4-methylphenyl) -indole compound, pharmaceutical composition and application thereof 中国药科大学 2024-09-06 — — CN disclosed
CN-113272292-B (2, 5-dioxopyrrolidin-1-yl) (phenyl) -acetamide derivatives and their use in the treatment of neurological diseases 雅盖隆大学 2024-04-12 — — CN disclosed
EP-3945091-B1 NOVEL VDAC1 INHIBITORS ABARCEO AB (SE) 2024-01-03 — — EP disclosed
US-20230348464-A1 NOVEL VDAC1 INHIBITORS ABARCEO PHARMA AB (SE) 2023-11-02 — — US disclosed
US-20230348464-A1 NOVEL VDAC1 INHIBITORS ABARCEO PHARMA AB (SE) 2023-11-02 — — US disclosed
CN-114751858-B Quinolinyl-containing tranexamic acid derivative and preparation and application thereof 沈阳药科大学 2023-09-12 — — CN disclosed
US-20040162282-A1 Substituted piperazines CHEMOCENTRYX, INC. 2004-08-19 — — US disclosed
US-20040082571-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2004-04-29 — — US disclosed
WO-2003105853-A1 1-ARYL-4-SUBSTITUTED PIPERAZINES DERIVATIVES FOR USE AS CCR1 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION AND IMMUNE DISORDERS CHEMOCENTRYX, INC. (US) 2003-12-24 — — WO disclosed
WO-2000063168-A1 SYNTHESIS OF AZETIDINE DERIVATIVES COELACANTH CHEMICAL CORPORATION (US) 2000-10-26 — — WO disclosed
WO-1999019297-A9 SYNTHESIS OF AZETIDINE DERIVATIVES COELACANTH CHEMICAL CORP (US) 1999-07-08 — — WO disclosed
WO-1999019297-A1 SYNTHESIS OF AZETIDINE DERIVATIVES COELACANTH CHEMICAL CORPORATION (US) 1999-04-22 — — WO disclosed
EP-0836599-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1998-04-22 — — EP disclosed
WO-1997002259-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1997-01-23 — — 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-20040082571-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 294/4885HTR3E 715/4885HTR3B 797/4885
US-12139458-B2 (2,5-dioxopyrrolidin-1-yl)(phenyl)-acetamide derivatives and their use in the treatment of neurological diseases TRPV5, P2RX5, TRPV1 ADRB1 2444/4885HTR3E 1577/4885HTR3B 1735/4885
US-20230348464-A1 NOVEL VDAC1 INHIBITORS VDAC1, HVCN1, VDAC2 ADRB1 1034/4885HTR3E 2238/4885HTR3B 1827/4885
US-20040162282-A1 Substituted piperazines CCR1, CCR3, CCRL2 ADRB1 294/4885HTR3E 715/4885HTR3B 797/4885
US-20250109103-A1 (2,5-DIOXOPYRROLIDIN-1-YL)(PHENYL)-ACETAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISEASES TRPV5, SCN5A, P2RX5 ADRB1 2648/4885HTR3E 1775/4885HTR3B 1950/4885

“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.