SCHEMBL5233334

SCHEMBL5233334

FC(F)(F)Oc1ccc(N2CCCNCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.54
HTR3E A5X5Y0 3/20 0.54
HTR3B O95264 3/20 0.54
HTR3A P46098 3/20 0.54
HTR3D Q70Z44 3/20 0.54
HTR3C Q8WXA8 3/20 0.54
SIGMAR1 Q99720 3/20 0.54
LTA4H P09960 4/20 0.51
SCN4A P35499 1/20 0.47
SCN9A Q15858 1/20 0.47
CHRNB2 P17787 5/20 0.47
CHRNA4 P43681 5/20 0.47
KCNA5 P22460 1/20 0.43
ABL1 P00519 1/20 0.42
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL59331 0.94 ADRB1 (0.61) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL28885740 0.92 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL14341118 0.89 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29471932 0.85 KCNA5 (0.50) KCNA5
SCHEMBL2426703 0.85 KCNA5 (0.50) KCNA5
SCHEMBL28161315 0.83 EPHX2 (0.50) KCNA5
SCHEMBL30424403 0.83 ADRB1 (0.49) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL31466211 0.80 CACNA2D1 (0.48) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5543670 0.80 L3MBTL3 (0.49) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3937241 0.79 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2022022846-A1 NOVEL VDAC1 INHIBITORS ABARCEO AB (SE) 2022-02-03 WO disclosed
EP-3945091-A1 NOVEL VDAC1 INHIBITORS Abarceo AB (SE) 2022-02-02 EP disclosed
EP-3945091-A1 NOVEL VDAC1 INHIBITORS Abarceo AB (SE) 2022-02-02 EP disclosed
US-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2017-11-23 US disclosed
US-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing SHANGHAI SUN-SAIL PHARMACEUTICAL SCIENCE & TECHNOLOGY CO., LTD. (CN) 2017-11-23 US disclosed
WO-2016091207-A1 NITROMIDAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN DRUG MANUFACTURING 上海阳帆医药科技有限公司 2016-06-16 WO disclosed
US-20070219234-A1 Thienopyridine Derivatives SANKYO COMPANY, LIMITED (JP) 2007-09-20 US disclosed
EP-1764367-A1 THIENOPYRIDINE DERIVATIVES Sankyo Company, Limited (JP) 2007-03-21 EP 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-20170334927-A1 Nitroimidazole Compound, Preparation Method Therefor And Use Thereof In Drug Manufacturing NISCH, CYP51A1, CYP4F11 ADRB1 912/4885HTR3E 4626/4885HTR3B 3942/4885
US-20230348464-A1 NOVEL VDAC1 INHIBITORS VDAC1, HVCN1, VDAC2 ADRB1 1034/4885HTR3E 2238/4885HTR3B 1827/4885
US-20070219234-A1 Thienopyridine Derivatives RASGRP1, NRAS, HRH3 ADRB1 241/4885HTR3E 4205/4885HTR3B 2793/4885

“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.